2-Debenzoyl-2-pentenoyldocetaxel

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C41H55NO14
Molecular Weight	785.8737
Optical Activity	UNSPECIFIED
Defined Stereocenters	11 / 11
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2-Debenzoyl-2-pentenoyldocetaxel

Structure Search

SMILES

CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@]3(C)[C@@H]2[C@H](OC(=O)CCC=C)[C@]4(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C5=CC=CC=C5)C(C)=C([C@@H](O)C3=O)C4(C)C

InChI

InChIKey=YATCJQWNKUIXRR-MVSNYNITSA-N

InChI=1S/C41H55NO14/c1-10-11-17-27(45)54-34-32-39(9,25(44)18-26-40(32,20-52-26)55-22(3)43)33(48)30(46)28-21(2)24(19-41(34,51)38(28,7)8)53-35(49)31(47)29(23-15-13-12-14-16-23)42-36(50)56-37(4,5)6/h10,12-16,24-26,29-32,34,44,46-47,51H,1,11,17-20H2,2-9H3,(H,42,50)/t24-,25-,26+,29-,30+,31+,32-,34-,39+,40-,41+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C41H55NO14
Molecular Weight	785.8737
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 17:45:04 GMT 2025` Edited by `admin` on `Wed Apr 02 17:45:04 GMT 2025`
Record UNII	FK6Q4P9KXE
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

(2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-12b-(Acetyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,6,11-trihydroxy-4a,8,13,13-tetramethyl-5-oxo-12-[(1-oxo-4-penten-1-yl)oxy]-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl (?R,?S)-?-[[(1,1-dimethyleth

Preferred Name

English

2-Debenzoyl-2-pentenoyldocetaxel

Common Name

English

Benzenepropanoic acid, ?-[[(1,1-dimethylethoxy)carbonyl]amino]-?-hydroxy-, (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-12b-(acetyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,6,11-trihydroxy-4a,8,13,13-tetramethyl-5-oxo-12-[(1-oxo-4-penten-1-yl)oxy]-7,11

Systematic Name

English

Code System Code Type Description

FDA UNII

FK6Q4P9KXE

Created by admin on Wed Apr 02 17:45:04 GMT 2025 , Edited by admin on Wed Apr 02 17:45:04 GMT 2025

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CAS

1412898-66-8

Created by admin on Wed Apr 02 17:45:04 GMT 2025 , Edited by admin on Wed Apr 02 17:45:04 GMT 2025

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PUBCHEM

169437143

Created by admin on Wed Apr 02 17:45:04 GMT 2025 , Edited by admin on Wed Apr 02 17:45:04 GMT 2025

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