2?,7-Bis(2,2,2-trichloroethyloxycarbonyl)taxol

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C53H53Cl6NO18
Molecular Weight	1204.702
Optical Activity	UNSPECIFIED
Defined Stereocenters	11 / 11
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2?,7-Bis(2,2,2-trichloroethyloxycarbonyl)taxol

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](OC(=O)OCC(Cl)(Cl)Cl)[C@@]4(C)C1=O)OC(C)=O)C2(C)C)OC(=O)[C@H](OC(=O)OCC(Cl)(Cl)Cl)[C@@H](NC(=O)C6=CC=CC=C6)C7=CC=CC=C7

InChI

InChIKey=OQFBSZMVMFMSTB-DOWBJONWSA-N

InChI=1S/C53H53Cl6NO18/c1-27-33(74-45(66)39(76-47(68)72-26-53(57,58)59)37(30-16-10-7-11-17-30)60-43(64)31-18-12-8-13-19-31)23-51(69)42(77-44(65)32-20-14-9-15-21-32)40-49(6,41(63)38(73-28(2)61)36(27)48(51,4)5)34(75-46(67)71-25-52(54,55)56)22-35-50(40,24-70-35)78-29(3)62/h7-21,33-35,37-40,42,69H,22-26H2,1-6H3,(H,60,64)/t33-,34-,35+,37-,38+,39+,40-,42-,49+,50-,51+/m0/s1

HIDE SMILES / InChI

Approval Year

Name

Type

Language

Benzenepropanoic acid, ?-(benzoylamino)-?-[[(2,2,2-trichloroethoxy)carbonyl]oxy]-, 6,12b-bis(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-11-hydroxy-4a,8,13,13-tetramethyl-5-oxo-4-[[(2,2,2-trichloroethoxy)carbonyl]oxy]-7,11-met

Preferred Name

English

2?,7-Bis(2,2,2-trichloroethyloxycarbonyl)taxol

Systematic Name

English

Code System Code Type Description

PUBCHEM

14060324

Created by admin on Wed Apr 02 17:37:41 GMT 2025 , Edited by admin on Wed Apr 02 17:37:41 GMT 2025

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CAS

100449-86-3

Created by admin on Wed Apr 02 17:37:41 GMT 2025 , Edited by admin on Wed Apr 02 17:37:41 GMT 2025

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EPA CompTox

DTXSID90555195

Created by admin on Wed Apr 02 17:37:41 GMT 2025 , Edited by admin on Wed Apr 02 17:37:41 GMT 2025

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FDA UNII

8G5ST42LUZ

Created by admin on Wed Apr 02 17:37:41 GMT 2025 , Edited by admin on Wed Apr 02 17:37:41 GMT 2025

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SUBSTANCE RECORD


					8G5ST42LUZ

2?,7-Bis(2,2,2-trichloroethyloxycarbonyl)taxol