4-EPI-6-OXODOCETAXEL

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C43H51NO14
Molecular Weight	805.8633
Optical Activity	UNSPECIFIED
Defined Stereocenters	10 / 10
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(=O)O[C@@]12CO[C@@H]1C[C@@H](O)[C@]3(C)[C@@H]2[C@H](OC(=O)C4=CC=CC=C4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C6=CC=CC=C6)C(C)=C(C(=O)C3=O)C5(C)C

InChI

InChIKey=ZOLQDWANVNOXBK-JSBGVCCUSA-N

InChI=1S/C43H51NO14/c1-22-26(55-37(51)32(48)30(24-15-11-9-12-16-24)44-38(52)58-39(3,4)5)20-43(53)35(56-36(50)25-17-13-10-14-18-25)33-41(8,34(49)31(47)29(22)40(43,6)7)27(46)19-28-42(33,21-54-28)57-23(2)45/h9-18,26-28,30,32-33,35,46,48,53H,19-21H2,1-8H3,(H,44,52)/t26-,27+,28+,30-,32+,33-,35-,41+,42-,43+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C43H51NO14
Molecular Weight	805.8633
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	10 / 10
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 18:38:57 GMT 2025` Edited by `admin` on `Mon Mar 31 18:38:57 GMT 2025`
Record UNII	23YRN771SO
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

4-EPI-6-OXODOCETAXEL

Common Name

English

(-)-4-EPI-6-OXODOCETAXEL

Preferred Name

English

DOCETAXEL IMPURITY D

Common Name

English

DOCETAXEL IMPURITY, 4-EPI-6-OXODOCETAXEL- [USP IMPURITY]

Common Name

English

5.BETA.,20-EPOXY-1,7.ALPHA.-DIHYDROXY-9,10-DIOXOTAX-11-ENE-2.ALPHA.,4,13.ALPHA.-TRIYL 4-ACETATE 2-BENZOATE 13-((2R,3S)-3-(((1,1-DIMETHYLETHOXY)CARBONYL)AMINO)-2-HYDROXY-3-PHENYLPROPANOATE)

Common Name

English

10-DEOXY-10-OXO-7-EPI-DOCETAXEL

Common Name

English

DOCETAXEL TRIHYDRATE IMPURITY D [EP IMPURITY]

Common Name

English

Code System Code Type Description

PUBCHEM

9940648