4-DEACETYLPACLITAXEL

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C45H49NO13
Molecular Weight	811.8695
Optical Activity	UNSPECIFIED
Defined Stereocenters	11 / 11
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

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(O)CO[C@@H]5C[C@H](O)[C@@]4(C)C1=O)C2(C)C)OC(=O)[C@H](O)[C@@H](NC(=O)C6=CC=CC=C6)C7=CC=CC=C7

InChI

InChIKey=FCMGXYOFDLQWFD-MHHARFCSSA-N

InChI=1S/C45H49NO13/c1-24-29(58-41(53)34(49)33(26-15-9-6-10-16-26)46-39(51)27-17-11-7-12-18-27)22-45(55)38(59-40(52)28-19-13-8-14-20-28)36-43(5,30(48)21-31-44(36,54)23-56-31)37(50)35(57-25(2)47)32(24)42(45,3)4/h6-20,29-31,33-36,38,48-49,54-55H,21-23H2,1-5H3,(H,46,51)/t29-,30-,31+,33-,34+,35+,36-,38-,43+,44-,45+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C45H49NO13
Molecular Weight	811.8695
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 `Mon Mar 31 18:09:02 GMT 2025` Edited by `admin` on `Mon Mar 31 18:09:02 GMT 2025`
Record UNII	37N393473Q
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

4-DEACETYLPACLITAXEL

Common Name

English

4-DEACETYLTAXOL

Preferred Name

English

Code System Code Type Description

FDA UNII

37N393473Q

Created by admin on Mon Mar 31 18:09:02 GMT 2025 , Edited by admin on Mon Mar 31 18:09:02 GMT 2025

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PUBCHEM

157799

Created by admin on Mon Mar 31 18:09:02 GMT 2025 , Edited by admin on Mon Mar 31 18:09:02 GMT 2025

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EPA CompTox

DTXSID20936332

Created by admin on Mon Mar 31 18:09:02 GMT 2025 , Edited by admin on Mon Mar 31 18:09:02 GMT 2025

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CAS

160511-46-6

Created by admin on Mon Mar 31 18:09:02 GMT 2025 , Edited by admin on Mon Mar 31 18:09:02 GMT 2025

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