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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H32O4
Molecular Weight 348.4764
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 8
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ANDROSTANE-3.BETA.,11.BETA.-DIOL-17-ONE 3-ACETATE

SMILES

CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)C[C@H](O)[C@H]23)C1

InChI

InChIKey=CEFAOKKMPAXYIR-ODZXRKDKSA-N
InChI=1S/C21H32O4/c1-12(22)25-14-8-9-20(2)13(10-14)4-5-15-16-6-7-18(24)21(16,3)11-17(23)19(15)20/h13-17,19,23H,4-11H2,1-3H3/t13-,14-,15-,16-,17-,19+,20-,21-/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
ANDROSTANE-3.BETA.,11.BETA.-DIOL-17-ONE 3-ACETATE
MI  
Common Name English
ANDROSTANE-3.BETA.,11.BETA.-DIOL-17-ONE 3-ACETATE [MI]
Preferred Name English
ANDROSTAN-17-ONE, 3-(ACETYLOXY)-11-HYDROXY-, (3.BETA.,5.ALPHA.,11.BETA.)-
Systematic Name English
Code System Code Type Description
FDA UNII
0AZ8338U2R
Created by admin on Mon Mar 31 22:04:15 GMT 2025 , Edited by admin on Mon Mar 31 22:04:15 GMT 2025
PRIMARY
CAS
5953-57-1
Created by admin on Mon Mar 31 22:04:15 GMT 2025 , Edited by admin on Mon Mar 31 22:04:15 GMT 2025
PRIMARY
PUBCHEM
73425427
Created by admin on Mon Mar 31 22:04:15 GMT 2025 , Edited by admin on Mon Mar 31 22:04:15 GMT 2025
PRIMARY
EPA CompTox
DTXSID501346682
Created by admin on Mon Mar 31 22:04:15 GMT 2025 , Edited by admin on Mon Mar 31 22:04:15 GMT 2025
PRIMARY
MERCK INDEX
m1899
Created by admin on Mon Mar 31 22:04:15 GMT 2025 , Edited by admin on Mon Mar 31 22:04:15 GMT 2025
PRIMARY Merck Index