2?-O-(tert-Butyldimethylsilyl)paclitaxel

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C53H65NO14Si
Molecular Weight	968.167
Optical Activity	UNSPECIFIED
Defined Stereocenters	11 / 11
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2?-O-(tert-Butyldimethylsilyl)paclitaxel

Structure Search

SMILES

CC(=O)O[C@@H]1C2=C(C)[C@H](C[C@@](O)([C@@H](OC(=O)C3=CC=CC=C3)[C@@H]4[C@@]5(CO[C@@H]5C[C@H](O)[C@@]4(C)C1=O)OC(C)=O)C2(C)C)OC(=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](NC(=O)C6=CC=CC=C6)C7=CC=CC=C7

InChI

InChIKey=KIELDCCFMKNOOM-HYWITDEOSA-N

InChI=1S/C53H65NO14Si/c1-30-36(65-48(61)42(68-69(10,11)49(4,5)6)40(33-21-15-12-16-22-33)54-46(59)34-23-17-13-18-24-34)28-53(62)45(66-47(60)35-25-19-14-20-26-35)43-51(9,37(57)27-38-52(43,29-63-38)67-32(3)56)44(58)41(64-31(2)55)39(30)50(53,7)8/h12-26,36-38,40-43,45,57,62H,27-29H2,1-11H3,(H,54,59)/t36-,37-,38+,40-,41+,42+,43-,45-,51+,52-,53+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C53H65NO14Si
Molecular Weight	968.167
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	11 / 11
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 17:31:55 GMT 2025` Edited by `admin` on `Wed Apr 02 17:31:55 GMT 2025`
Record UNII	DDV8V9P73W
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2?-O-(tert-Butyldimethylsilyl)taxol

Preferred Name

English

2?-O-(tert-Butyldimethylsilyl)paclitaxel

Systematic Name

English

Benzenepropanoic acid, ?-(benzoylamino)-?-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-, 6,12b-bis(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,11-dihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxe

Systematic Name

English

Benzenepropanoic acid, ?-(benzoylamino)-?-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-, (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-6,12b-bis(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,11-dihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-me

Systematic Name

English

Code System Code Type Description

PUBCHEM

10557870

Created by admin on Wed Apr 02 17:31:55 GMT 2025 , Edited by admin on Wed Apr 02 17:31:55 GMT 2025

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EPA CompTox

DTXSID30555194

Created by admin on Wed Apr 02 17:31:55 GMT 2025 , Edited by admin on Wed Apr 02 17:31:55 GMT 2025

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FDA UNII

DDV8V9P73W

Created by admin on Wed Apr 02 17:31:55 GMT 2025 , Edited by admin on Wed Apr 02 17:31:55 GMT 2025

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CAS

114655-02-6

Created by admin on Wed Apr 02 17:31:55 GMT 2025 , Edited by admin on Wed Apr 02 17:31:55 GMT 2025

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