2?-O-(tert-Butyldimethylsilyl)-6,7-dehydropaclitaxel

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C53H63NO13Si
Molecular Weight	950.1517
Optical Activity	UNSPECIFIED
Defined Stereocenters	10 / 10
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2?-O-(tert-Butyldimethylsilyl)-6,7-dehydropaclitaxel

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[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=STDWDYDOHOANPV-BFKFGTFBSA-N

InChI=1S/C53H63NO13Si/c1-31-37(64-48(60)42(67-68(10,11)49(4,5)6)40(34-21-15-12-16-22-34)54-46(58)35-23-17-13-18-24-35)29-53(61)45(65-47(59)36-25-19-14-20-26-36)43-51(9,28-27-38-52(43,30-62-38)66-33(3)56)44(57)41(63-32(2)55)39(31)50(53,7)8/h12-28,37-38,40-43,45,61H,29-30H2,1-11H3,(H,54,58)/t37-,38+,40-,41+,42+,43-,45-,51+,52-,53+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C53H63NO13Si
Molecular Weight	950.1517
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	10 / 10
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 17:18:29 GMT 2025` Edited by `admin` on `Wed Apr 02 17:18:29 GMT 2025`
Record UNII	5YH9MDP67U
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2?-O-(tert-Butyldimethylsilyl)-6,7-dehydropaclitaxel

Common Name

English

(2aR,4aR,6R,9S,11S,12S,12aR,12bS)-6,12b-Bis(acetyloxy)-12-(benzoyloxy)-2a,4a,5,6,9,10,11,12,12a,12b-decahydro-11-hydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl (?R,?S)-?-(benzoylamino)-?-[[(1,1-dimethylethyl)dimet

Preferred Name

English

Benzenepropanoic acid, ?-(benzoylamino)-?-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-, (2aR,4aR,6R,9S,11S,12S,12aR,12bS)-6,12b-bis(acetyloxy)-12-(benzoyloxy)-2a,4a,5,6,9,10,11,12,12a,12b-decahydro-11-hydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cycl

Systematic Name

English

Code System Code Type Description

CAS

165065-02-1

Created by admin on Wed Apr 02 17:18:29 GMT 2025 , Edited by admin on Wed Apr 02 17:18:29 GMT 2025

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EPA CompTox

DTXSID00675737

Created by admin on Wed Apr 02 17:18:29 GMT 2025 , Edited by admin on Wed Apr 02 17:18:29 GMT 2025

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FDA UNII

5YH9MDP67U

Created by admin on Wed Apr 02 17:18:29 GMT 2025 , Edited by admin on Wed Apr 02 17:18:29 GMT 2025

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PUBCHEM

15432939

Created by admin on Wed Apr 02 17:18:29 GMT 2025 , Edited by admin on Wed Apr 02 17:18:29 GMT 2025

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