11.BETA.,16.ALPHA.,17,21-TETRAHYDROXY-5,9-(EPOXYBENZYLYLIDENEAMINO)-5.ALPHA.-PREGNANE-3,20-DIONE-16,17-ACETONIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C33H41NO8
Molecular Weight	579.6805
Optical Activity	UNSPECIFIED
Defined Stereocenters	9 / 9
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 11.BETA.,16.ALPHA.,17,21-TETRAHYDROXY-5,9-(EPOXYBENZYLYLIDENEAMINO)-5.ALPHA.-PREGNANE-3,20-DIONE-16,17-ACETONIDE

Structure Search

SMILES

CC(=O)OCC(=O)[C@@]12OC(C)(C)O[C@@H]1C[C@H]3[C@@H]4CC[C@@]56CC(=O)CC[C@]5(C)[C@@]4(N=C(O6)C7=CC=CC=C7)[C@@H](O)C[C@]23C

InChI

InChIKey=ZHMQFTXBMPGYLB-OAVHCRLQSA-N

InChI=1S/C33H41NO8/c1-19(35)39-18-25(38)33-26(40-28(2,3)42-33)15-23-22-12-14-31-16-21(36)11-13-30(31,5)32(22,24(37)17-29(23,33)4)34-27(41-31)20-9-7-6-8-10-20/h6-10,22-24,26,37H,11-18H2,1-5H3/t22-,23-,24-,26+,29-,30-,31+,32-,33+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C33H41NO8
Molecular Weight	579.6805
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	9 / 9
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 22:18:42 GMT 2025` Edited by `admin` on `Mon Mar 31 22:18:42 GMT 2025`
Record UNII	04SU82953H
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

11.BETA.,16.ALPHA.,17,21-TETRAHYDROXY-5,9-(EPOXYBENZYLYLIDENEAMINO)-5.ALPHA.-PREGNANE-3,20-DIONE-16,17-ACETONIDE

Preferred Name

English

Code System Code Type Description

PUBCHEM

91864446

Created by admin on Mon Mar 31 22:18:42 GMT 2025 , Edited by admin on Mon Mar 31 22:18:42 GMT 2025

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CAS

52091-93-7

Created by admin on Mon Mar 31 22:18:42 GMT 2025 , Edited by admin on Mon Mar 31 22:18:42 GMT 2025

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FDA UNII

04SU82953H

Created by admin on Mon Mar 31 22:18:42 GMT 2025 , Edited by admin on Mon Mar 31 22:18:42 GMT 2025

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