U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

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

SMILES

[H][C@@]12C[C@H]3OC(C)(C)O[C@@]3(C(=O)COC(C)=O)[C@@]1(C)C[C@H](O)[C@@]45N=C(O[C@]6(CC[C@@]24[H])CC(=O)CC[C@]56C)C7=CC=CC=C7

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

Approval Year

Name Type Language
11.BETA.,16.ALPHA.,17,21-TETRAHYDROXY-5,9-(EPOXYBENZYLYLIDENEAMINO)-5.ALPHA.-PREGNANE-3,20-DIONE-16,17-ACETONIDE
Common Name English
Code System Code Type Description
PUBCHEM
91864446
Created by admin on Sat Dec 16 08:47:03 GMT 2023 , Edited by admin on Sat Dec 16 08:47:03 GMT 2023
PRIMARY
CAS
52091-93-7
Created by admin on Sat Dec 16 08:47:03 GMT 2023 , Edited by admin on Sat Dec 16 08:47:03 GMT 2023
PRIMARY
FDA UNII
04SU82953H
Created by admin on Sat Dec 16 08:47:03 GMT 2023 , Edited by admin on Sat Dec 16 08:47:03 GMT 2023
PRIMARY