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

Details

Stereochemistry ABSOLUTE
Molecular Formula C26H34O3
Molecular Weight 394.5464
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 7
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ANDROSTENEDIOL 17-BENZOATE

SMILES

[H][C@@]12CC[C@H](OC(=O)C3=CC=CC=C3)[C@@]1(C)CC[C@@]4([H])[C@@]2([H])CC=C5C[C@@H](O)CC[C@]45C

InChI

InChIKey=BGSWILYBWIQYKQ-DRKCKIEBSA-N
InChI=1S/C26H34O3/c1-25-14-12-19(27)16-18(25)8-9-20-21-10-11-23(26(21,2)15-13-22(20)25)29-24(28)17-6-4-3-5-7-17/h3-8,19-23,27H,9-16H2,1-2H3/t19-,20-,21-,22-,23-,25-,26-/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
ANDROSTENEDIOL 17-BENZOATE
MI  
Common Name English
ANDROST-5-ENE-3,17-DIOL, 17-BENZOATE, (3.BETA.,17.BETA.)-
Systematic Name English
NSC-226156
Code English
ANDROSTENEDIOL 17-BENZOATE [MI]
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID70922442
Created by admin on Sat Dec 16 09:06:05 GMT 2023 , Edited by admin on Sat Dec 16 09:06:05 GMT 2023
PRIMARY
MERCK INDEX
m1900
Created by admin on Sat Dec 16 09:06:05 GMT 2023 , Edited by admin on Sat Dec 16 09:06:05 GMT 2023
PRIMARY Merck Index
ECHA (EC/EINECS)
214-641-0
Created by admin on Sat Dec 16 09:06:05 GMT 2023 , Edited by admin on Sat Dec 16 09:06:05 GMT 2023
PRIMARY
FDA UNII
26P2GC37AB
Created by admin on Sat Dec 16 09:06:05 GMT 2023 , Edited by admin on Sat Dec 16 09:06:05 GMT 2023
PRIMARY
PUBCHEM
99476
Created by admin on Sat Dec 16 09:06:05 GMT 2023 , Edited by admin on Sat Dec 16 09:06:05 GMT 2023
PRIMARY
CAS
1175-12-8
Created by admin on Sat Dec 16 09:06:05 GMT 2023 , Edited by admin on Sat Dec 16 09:06:05 GMT 2023
PRIMARY
NSC
226156
Created by admin on Sat Dec 16 09:06:05 GMT 2023 , Edited by admin on Sat Dec 16 09:06:05 GMT 2023
PRIMARY