2?-O-(tert-Butyldimethylsilyl)-6?-hydroxy-7-epi-paclitaxel

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C53H65NO15Si
Molecular Weight	984.1664
Optical Activity	UNSPECIFIED
Defined Stereocenters	12 / 12
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2?-O-(tert-Butyldimethylsilyl)-6?-hydroxy-7-epi-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]5[C@@H](O)[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=ACJHNDYFTFXEOF-QTYAFJNESA-N

InChI=1S/C53H65NO15Si/c1-29-35(66-48(62)40(69-70(10,11)49(4,5)6)37(32-21-15-12-16-22-32)54-46(60)33-23-17-13-18-24-33)27-53(63)45(67-47(61)34-25-19-14-20-26-34)41-51(9,43(59)39(65-30(2)55)36(29)50(53,7)8)42(58)38(57)44-52(41,28-64-44)68-31(3)56/h12-26,35,37-42,44-45,57-58,63H,27-28H2,1-11H3,(H,54,60)/t35-,37-,38-,39+,40+,41-,42+,44+,45-,51-,52+,53+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C53H65NO15Si
Molecular Weight	984.1664
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	12 / 12
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 19:47:26 GMT 2025` Edited by `admin` on `Wed Apr 02 19:47:26 GMT 2025`
Record UNII	49L9SLK6Y8
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2?-O-(tert-Butyldimethylsilyl)-6?-hydroxy-7-epi-paclitaxel

Systematic Name

English

(2aR,3S,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-3,4,11-trihydroxy-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-

Preferred Name

English

Benzenepropanoic acid, ?-(benzoylamino)-?-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-, (2aR,3S,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-3,4,11-trihydroxy-4a,8,13,13-tetramethyl-5-oxo-7

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID60675738

Created by admin on Wed Apr 02 19:47:26 GMT 2025 , Edited by admin on Wed Apr 02 19:47:26 GMT 2025

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FDA UNII

49L9SLK6Y8

Created by admin on Wed Apr 02 19:47:26 GMT 2025 , Edited by admin on Wed Apr 02 19:47:26 GMT 2025

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CAS

165065-08-7

Created by admin on Wed Apr 02 19:47:26 GMT 2025 , Edited by admin on Wed Apr 02 19:47:26 GMT 2025

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PUBCHEM

11062053

Created by admin on Wed Apr 02 19:47:26 GMT 2025 , Edited by admin on Wed Apr 02 19:47:26 GMT 2025

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