N-Debenzoyl-N-propanoyl-10-deacetylpaclitaxel

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C41H49NO13
Molecular Weight	763.8267
Optical Activity	UNSPECIFIED
Defined Stereocenters	11 / 11
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of N-Debenzoyl-N-propanoyl-10-deacetylpaclitaxel

Structure Search

SMILES

CCC(=O)N[C@H]([C@@H](O)C(=O)O[C@H]1C[C@@]2(O)[C@@H](OC(=O)C3=CC=CC=C3)[C@@H]4[C@@]5(CO[C@@H]5C[C@H](O)[C@@]4(C)C(=O)[C@H](O)C(=C1C)C2(C)C)OC(C)=O)C6=CC=CC=C6

InChI

InChIKey=ZOIZSANARCWOGD-ANYOQAFTSA-N

InChI=1S/C41H49NO13/c1-7-28(45)42-30(23-14-10-8-11-15-23)32(47)37(50)53-25-19-41(51)35(54-36(49)24-16-12-9-13-17-24)33-39(6,34(48)31(46)29(21(25)2)38(41,4)5)26(44)18-27-40(33,20-52-27)55-22(3)43/h8-17,25-27,30-33,35,44,46-47,51H,7,18-20H2,1-6H3,(H,42,45)/t25-,26-,27+,30-,31+,32+,33-,35-,39+,40-,41+/m0/s1

HIDE SMILES / InChI

Approval Year

Name

Type

Language

N-Debenzoyl-N-propanoyl-10-deacetylpaclitaxel

Systematic Name

English

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

Preferred Name

English

Benzenepropanoic acid, ?-hydroxy-?-[(1-oxopropyl)amino]-, (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-12b-(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,6,11-trihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[

Systematic Name

English

Code System Code Type Description

FDA UNII

SPU5CV9RG3

Created by admin on Wed Apr 02 17:18:30 GMT 2025 , Edited by admin on Wed Apr 02 17:18:30 GMT 2025

PRIMARY

PUBCHEM

15834621

Created by admin on Wed Apr 02 17:18:30 GMT 2025 , Edited by admin on Wed Apr 02 17:18:30 GMT 2025

PRIMARY

CAS

173101-59-2

Created by admin on Wed Apr 02 17:18:30 GMT 2025 , Edited by admin on Wed Apr 02 17:18:30 GMT 2025

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SUBSTANCE RECORD


					SPU5CV9RG3

N-Debenzoyl-N-propanoyl-10-deacetylpaclitaxel