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

Details

Stereochemistry ABSOLUTE
Molecular Formula C23H34O5
Molecular Weight 390.5131
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 DIACETATE

SMILES

[H][C@@]12CCC(=O)[C@@]1(C)C[C@H](OC(C)=O)[C@@]3([H])[C@@]2([H])CC[C@@]4([H])C[C@H](CC[C@]34C)OC(C)=O

InChI

InChIKey=VLPVWDQCPDOELG-NNVRNNGRSA-N
InChI=1S/C23H34O5/c1-13(24)27-16-9-10-22(3)15(11-16)5-6-17-18-7-8-20(26)23(18,4)12-19(21(17)22)28-14(2)25/h15-19,21H,5-12H2,1-4H3/t15-,16-,17-,18-,19-,21+,22-,23-/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
ANDROSTANE-3.BETA.,11.BETA.-DIOL-17-ONE DIACETATE
MI  
Common Name English
ANDROSTANE-3.BETA.,11.BETA.-DIOL-17-ONE DIACETATE [MI]
Common Name English
ANDROSTAN-17-ONE, 3,11-BIS(ACETYLOXY)-, (3.BETA.,5.ALPHA.,11.BETA.)-
Systematic Name English
Code System Code Type Description
PUBCHEM
73425413
Created by admin on Sat Dec 16 08:03:10 GMT 2023 , Edited by admin on Sat Dec 16 08:03:10 GMT 2023
PRIMARY
CAS
5953-58-2
Created by admin on Sat Dec 16 08:03:10 GMT 2023 , Edited by admin on Sat Dec 16 08:03:10 GMT 2023
PRIMARY
FDA UNII
5I62XQ94NI
Created by admin on Sat Dec 16 08:03:10 GMT 2023 , Edited by admin on Sat Dec 16 08:03:10 GMT 2023
PRIMARY
MERCK INDEX
m1899
Created by admin on Sat Dec 16 08:03:10 GMT 2023 , Edited by admin on Sat Dec 16 08:03:10 GMT 2023
PRIMARY Merck Index