问题：有机资源名称!
类型：求助 (悬赏分:3分)
提问：化学生
等级：▲
版块：有机化学资源(yjgzfl,netpanda,)
信誉：33%
回复：5
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时间：2005-05-30 14:41:26 编辑加入/取消收藏订制/取消短消息举报该贴

求助物质phorboxazoles 的化学名称和物质特性,谢谢!

回复人：yjgzfl,★ (研究) 时间：2006-01-28 15:03:49 编辑	1楼
已经打分了。

回复人：nucleoside,▲ (hehe) 时间：2005-05-31 00:31:59 编辑

2楼

?CA?琩???辨Τノ
Registry Number: 181377-57-1

Absolute stereochemistry. Double bond geometry as described by E or Z. Currently available stereo shown.

Formula: C73 H85 Br F6 N2 O17

CA Index Name: Benzeneacetic acid, 冄-methoxy-冄-(trifluoromethyl)-, 9-bromo-1-[6-[[4-[2-[12,31-dimethyl-21-methylene-15-oxo-27-(3,3,3-trifluoro-2-methoxy-1-oxo-2-phenylpropoxy)-4,10,14,29,30-pentaoxa-32-azapentacyclo[23.3.1.12,5.19,13.119,23]dotriaconta-2,5(32),6,16-tetraen-11-yl]-1-propenyl]-2-oxazolyl]methyl]tetrahydro-6-hydroxy-4-methoxy-2H-pyran-2-yl]-6-methoxy-3-methyl-2,4,8-nonatrienyl ester (9CI)

Other Names: Phorboxazole A bis[(R)-MTPA ester]

-- Properties --

Calculated
Property Value Condition Note
Bioconc. Factor 1.00E6 pH 1 (1) ACD
Bioconc. Factor 1.00E6 pH 4 (1) ACD
Bioconc. Factor 1.00E6 pH 7 (1) ACD
Bioconc. Factor 1.00E6 pH 8 (1) ACD
Bioconc. Factor 1.00E6 pH 10 (1) ACD
Freely Rotatable Bonds 23 (1) ACD
H acceptors 19 (1) ACD
H donors 1 (1) ACD
Koc 1.00E7 pH 1 (1) ACD
Koc 1.00E7 pH 4 (1) ACD
Koc 1.00E7 pH 7 (1) ACD
Koc 1.00E7 pH 8 (1) ACD
Koc 1.00E7 pH 10 (1) ACD
logD 13.84 pH 1 (1) ACD
logD 14.99 pH 4 (1) ACD
logD 14.99 pH 7 (1) ACD
logD 14.99 pH 8 (1) ACD
logD 14.98 pH 10 (1) ACD
logP 14.992?.315 (1) ACD
Molar Solubility Sparingly Soluble pH 1 (1) ACD
Molar Solubility Sparingly Soluble pH 4 (1) ACD
Molar Solubility Sparingly Soluble pH 7 (1) ACD
Molar Solubility Sparingly Soluble pH 8 (1) ACD
Molar Solubility Sparingly Soluble pH 10 (1) ACD
Molecular Weight 1456.35 (1) ACD
pKa 11.82?.60 Most Acidic (1) ACD
pKa 1.93?.50 Most Basic (1) ACD

Notes:
(1) Calculated using Advanced Chemistry Development (ACD/Labs) Software Solaris V4.76 (劍 1994-2005 ACD/Labs)

-- Resources --

References: ~1

STN Files: CAPLUS, CA, USPATFULL

(Additional Information is available through STN International. Contact your information specialist, a local CAS representative, or the CAS Help Desk for Assistance)

Database: REGISTRY (Copyright 2005 ACS)

Registry Number: 180911-82-4

Absolute stereochemistry. Double bond geometry as described by E or Z. Currently available stereo shown.

Formula: C73 H85 Br F6 N2 O17

CA Index Name: Benzeneacetic acid, 冄-methoxy-冄-(trifluoromethyl)-, 9-bromo-1-[6-[[4-[2-[12,31-dimethyl-21-methylene-15-oxo-27-(3,3,3-trifluoro-2-methoxy-1-oxo-2-phenylpropoxy)-4,10,14,29,30-pentaoxa-32-azapentacyclo[23.3.1.12,5.19,13.119,23]dotriaconta-2,5(32),6,16-tetraen-11-yl]-1-propenyl]-2-oxazolyl]methyl]tetrahydro-6-hydroxy-4-methoxy-2H-pyran-2-yl]-6-methoxy-3-methyl-2,4,8-nonatrienyl ester (9CI)

Other Names: Phorboxazole A bis[(S)-MTPA ester]

-- Properties --

Calculated
Property Value Condition Note
Bioconc. Factor 1.00E6 pH 1 (1) ACD
Bioconc. Factor 1.00E6 pH 4 (1) ACD
Bioconc. Factor 1.00E6 pH 7 (1) ACD
Bioconc. Factor 1.00E6 pH 8 (1) ACD
Bioconc. Factor 1.00E6 pH 10 (1) ACD
Freely Rotatable Bonds 23 (1) ACD
H acceptors 19 (1) ACD
H donors 1 (1) ACD
Koc 1.00E7 pH 1 (1) ACD
Koc 1.00E7 pH 4 (1) ACD
Koc 1.00E7 pH 7 (1) ACD
Koc 1.00E7 pH 8 (1) ACD
Koc 1.00E7 pH 10 (1) ACD
logD 13.84 pH 1 (1) ACD
logD 14.99 pH 4 (1) ACD
logD 14.99 pH 7 (1) ACD
logD 14.99 pH 8 (1) ACD
logD 14.98 pH 10 (1) ACD
logP 14.992?.315 (1) ACD
Molar Solubility Sparingly Soluble pH 1 (1) ACD
Molar Solubility Sparingly Soluble pH 4 (1) ACD
Molar Solubility Sparingly Soluble pH 7 (1) ACD
Molar Solubility Sparingly Soluble pH 8 (1) ACD
Molar Solubility Sparingly Soluble pH 10 (1) ACD
Molecular Weight 1456.35 (1) ACD
pKa 11.82?.60 Most Acidic (1) ACD
pKa 1.93?.50 Most Basic (1) ACD

Notes:
(1) Calculated using Advanced Chemistry Development (ACD/Labs) Software Solaris V4.76 (劍 1994-2005 ACD/Labs)

-- Resources --

References: ~1

STN Files: CAPLUS, CA, USPATFULL

(Additional Information is available through STN International. Contact your information specialist, a local CAS representative, or the CAS Help Desk for Assistance)

Database: REGISTRY (Copyright 2005 ACS)

Registry Number: 165883-76-1

Absolute stereochemistry. Rotation (+). Double bond geometry as described by E or Z.

Formula: C53 H71 Br N2 O13

CA Index Name: 4,10,14,29,30-Pentaoxa-32-azapentacyclo[23.3.1.12,5.19,13.119,23]dotriaconta-2,5(32),6,16-tetraen-15-one, 11-[(1E)-2-[2-[[(2S,4R,6R)-6-[(1R,2E,4E,6R,8E)-9-bromo-1-hydroxy-6-methoxy-3-methyl-2,4,8-nonatrienyl]tetrahydro-2-hydroxy-4-methoxy-2H-pyran-2-yl]methyl]-4-oxazolyl]-1-methylethenyl]-27-hydroxy-12,31-dimethyl-21-methylene-, (1R,6E,9R,11R,12R,13S,16Z,19S,23R,25S,27R,31S)- (9CI)

Other Names: 4,10,14,29,30-Pentaoxa-32-azapentacyclo[23.3.1.12,5.19,13.119,23]dotriaconta-2,5(32),6,16-tetraen-15-one, 11-[2-[2-[[6-(9-bromo-1-hydroxy-6-methoxy-3-methyl-2,4,8-nonatrienyl)tetrahydro-2-hydroxy-4-methoxy-2H-pyran-2-yl]methyl]-4-oxazolyl]-1-methylethenyl]-27-hydroxy-12,31-dimethyl-21-methylene-, [1R-[1R*,6E,9R*,11R*[E[2S*,4R*,6R*(1R*,2E,4E,6R*,8E)]],12R*,13S*,16Z,19S*,23R*,25S*,27R*,31S*]]-; (+)-Phorboxazole A; Phorboxazole A

-- Properties --

Calculated
Property Value Condition Note
Bioconc. Factor 1920 pH 1 (1) ACD
Bioconc. Factor 33000 pH 4 (1) ACD
Bioconc. Factor 33300 pH 7 (1) ACD
Bioconc. Factor 33300 pH 8 (1) ACD
Bioconc. Factor 32900 pH 10 (1) ACD
Boiling Point 1044.7?5.0 韚 Press: 760 Torr (1) ACD
Enthalpy of Vap. 160.11?.0 kJ/mol (1) ACD
Flash Point 585.6?6.7 韚 (1) ACD
H acceptors 15 (1) ACD
H donors 3 (1) ACD
Koc 3460 pH 1 (1) ACD
Koc 59500 pH 4 (1) ACD
Koc 60100 pH 7 (1) ACD
Koc 60000 pH 8 (1) ACD
Koc 59300 pH 10 (1) ACD
logD 5.01 pH 1 (1) ACD
logD 6.25 pH 4 (1) ACD
logD 6.25 pH 7 (1) ACD
logD 6.25 pH 8 (1) ACD
logD 6.25 pH 10 (1) ACD
logP 6.254?.920 (1) ACD
Molar Solubility Sparingly Soluble pH 1 (1) ACD
Molar Solubility Sparingly Soluble pH 4 (1) ACD
Molar Solubility Sparingly Soluble pH 7 (1) ACD
Molar Solubility Sparingly Soluble pH 8 (1) ACD
Molar Solubility Sparingly Soluble pH 10 (1) ACD
Molecular Weight 1024.04 (1) ACD
pKa 11.94?.60 Most Acidic (1) ACD
pKa 1.93?.50 Most Basic (1) ACD
Vapor Pressure 0 Torr Temp: 25 韚 (1) ACD

Experimental
Property Value Condition Note
13C NMR Spec See full text (2) CAS
13C NMR Spec See full text (3) CAS
IR Absorp Spec See full text (3) CAS
IR Absorp Spec See full text (2) CAS
Mass Spectra See full text (3) CAS
Mass Spectra See full text (2) CAS
Optical Rotatory Power +43.3 Conc: 0.12 (3) CAS
g/100mL
Solv: chloroform
(67-66-3)
Wavlen: 589.3
nm
Temp: 20 韚
Optical Rotatory Power +36.9 Conc: 0.33 (2) CAS
g/100mL
Solv: methanol
(67-56-1)
Wavlen: 589.3
nm
Temp: 23 韚
Proton NMR Spectra See full text (2) CAS
Proton NMR Spectra See full text (3) CAS

Notes:
(1) Calculated using Advanced Chemistry Development (ACD/Labs) Software Solaris V4.67 (劍 1994-2005 ACD/Labs)
(2) Williams, David R.; Proceedings of the National Academy of Sciences of the United States of America 2004, V101(33), P12058-12063
(3) Pattenden, Gerald; Organic & Biomolecular Chemistry 2003, V1(23), P4173-4208

-- Resources --

References: ~55

STN Files: CAPLUS, ADISINSIGHT, BIOSIS, CA, CANCERLIT, CASREACT, EMBASE, MEDLINE, TOXCENTER, USPAT2, USPATFULL

(Additional Information is available through STN International. Contact your information specialist, a local CAS representative, or the CAS Help Desk for Assistance)

Database: REGISTRY (Copyright 2005 ACS)

Registry Number: 165689-31-6

Absolute stereochemistry. Rotation (+). Double bond geometry as described by E or Z.

Formula: C53 H71 Br N2 O13

CA Index Name: 4,10,14,29,30-Pentaoxa-32-azapentacyclo[23.3.1.12,5.19,13.119,23]dotriaconta-2,5(32),6,16-tetraen-15-one, 11-[(1E)-2-[2-[[(2S,4R,6R)-6-[(1R,2E,4E,6R,8E)-9-bromo-1-hydroxy-6-methoxy-3-methyl-2,4,8-nonatrienyl]tetrahydro-2-hydroxy-4-methoxy-2H-pyran-2-yl]methyl]-4-oxazolyl]-1-methylethenyl]-27-hydroxy-12,31-dimethyl-21-methylene-, (1R,6E,9R,11R,12R,13S,16Z,19S,23R,25S,27S,31S)- (9CI)

Other Names: 4,10,14,29,30-Pentaoxa-32-azapentacyclo[23.3.1.12,5.19,13.119,23]dotriaconta-2,5(32),6,16-tetraen-15-one, 11-[2-[2-[[6-(9-bromo-1-hydroxy-6-methoxy-3-methyl-2,4,8-nonatrienyl)tetrahydro-2-hydroxy-4-methoxy-2H-pyran-2-yl]methyl]-4-oxazolyl]-1-methylethenyl]-27-hydroxy-12,31-dimethyl-21-methylene-, [1R-[1R*,6E,9R*,11R*[E[2S*,4R*,6R*(1R*,2E,4E,6R*,8E)]],12R*,13S*,16Z,19S*,23R*,25S*,27S*,31S*]]-; Phorboxazole B

-- Properties --

Calculated
Property Value Condition Note
Bioconc. Factor 1920 pH 1 (1) ACD
Bioconc. Factor 33000 pH 4 (1) ACD
Bioconc. Factor 33300 pH 7 (1) ACD
Bioconc. Factor 33300 pH 8 (1) ACD
Bioconc. Factor 32900 pH 10 (1) ACD
Boiling Point 1044.7?5.0 韚 Press: 760.0 (1) ACD
Torr
Enthalpy of Vap. 160.11?.0 kJ/mol (1) ACD
Flash Point 585.6?6.7 韚 (1) ACD
H acceptors 15 (1) ACD
H donors 3 (1) ACD
Koc 3460 pH 1 (1) ACD
Koc 59500 pH 4 (1) ACD
Koc 60100 pH 7 (1) ACD
Koc 60000 pH 8 (1) ACD
Koc 59300 pH 10 (1) ACD
logD 5.01 pH 1 (1) ACD
logD 6.25 pH 4 (1) ACD
logD 6.25 pH 7 (1) ACD
logD 6.25 pH 8 (1) ACD
logD 6.25 pH 10 (1) ACD
logP 6.254?.920 (1) ACD
Molar Solubility Sparingly Soluble pH 1 (1) ACD
Molar Solubility Sparingly Soluble pH 4 (1) ACD
Molar Solubility Sparingly Soluble pH 7 (1) ACD
Molar Solubility Sparingly Soluble pH 8 (1) ACD
Molar Solubility Sparingly Soluble pH 10 (1) ACD
Molecular Weight 1024.04 (1) ACD
pKa 11.94?.60 Most Acidic (1) ACD
pKa 1.93?.50 Most Basic (1) ACD
Vapor Pressure 0 Torr Temp: 25.0 韚 (1) ACD

Notes:
(1) Calculated using Advanced Chemistry Development (ACD/Labs) Software Solaris V4.67 (劍 1994-2005 ACD/Labs)

-- Resources --

References: ~34

STN Files: CAPLUS, ADISINSIGHT, BIOSIS, CA, CASREACT, EMBASE, TOXCENTER, USPATFULL

(Additional Information is available through STN International. Contact your information specialist, a local CAS representative, or the CAS Help Desk for Assistance)

Database: REGISTRY (Copyright 2005 ACS)

回复人：nucleoside,▲ (hehe) 时间：2005-05-31 00:33:34 编辑	3楼
好想分子结构没贴上，不知道怎么粘贴附件，我发到你邮箱里面去吧，word打开就可以了

回复人：hzaubbs,▲ (喜欢与所有爱好化学的人交朋友) 时间：2005-05-31 07:09:38 编辑

4楼

看它有用没有！
Natural Product Synthesis Special Feature
RESEARCH ARTICLES / CHEMISTRY
Studies of stereocontrolled allylation reactions for the total synthesis of phorboxazole A
David R. Williams *, Andre A. Kiryanov, Ulrich Emde, Michael P. Clark, Martin A. Berliner and Jonathan T. Reeves

Department of Chemistry, Indiana University, 800 East Kirkwood Avenue, Bloomington, IN 47405-7102

Edited by Kyriacos C. Nicolaou, The Scripps Research Institute, La Jolla, CA and approved May 21, 2004 (received for review April 9, 2004

回复人：化学生,▲ (从事化学事业超过15年) 时间：2005-05-31 10:09:54 编辑	5楼
非常感谢nucleoside,▲ (hehe)的帮助，应给予加分，如果能告之此物质具有何种物理化学特性，则不胜感激！

得分人：nucleoside-1,

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