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

Details

Stereochemistry ABSOLUTE
Molecular Formula C28H36O4
Molecular Weight 436.583
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 7
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ANDROSTENEDIOL 3-ACETATE 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](CC[C@]45C)OC(C)=O

InChI

InChIKey=JVRUDYNTKOCRNP-ARZCWHKOSA-N
InChI=1S/C28H36O4/c1-18(29)31-21-13-15-27(2)20(17-21)9-10-22-23-11-12-25(28(23,3)16-14-24(22)27)32-26(30)19-7-5-4-6-8-19/h4-9,21-25H,10-17H2,1-3H3/t21-,22-,23-,24-,25-,27-,28-/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
ANDROSTENEDIOL 3-ACETATE 17-BENZOATE
Common Name English
SKF-2895
Code English
NSC-148900
Code English
ANDROSTENEDIOL 3-ACETATE-17-BENZOATE [MI]
Common Name English
EM-1397
Code English
ANDROST-5-ENE-3,17-DIOL, 3-ACETATE 17-BENZOATE, (3.BETA.,17.BETA.)-
Common Name English
Code System Code Type Description
CAS
5953-63-9
Created by admin on Sat Dec 16 08:53:21 GMT 2023 , Edited by admin on Sat Dec 16 08:53:21 GMT 2023
PRIMARY
FDA UNII
46OU283T97
Created by admin on Sat Dec 16 08:53:21 GMT 2023 , Edited by admin on Sat Dec 16 08:53:21 GMT 2023
PRIMARY
EPA CompTox
DTXSID00974939
Created by admin on Sat Dec 16 08:53:21 GMT 2023 , Edited by admin on Sat Dec 16 08:53:21 GMT 2023
PRIMARY
NSC
148900
Created by admin on Sat Dec 16 08:53:21 GMT 2023 , Edited by admin on Sat Dec 16 08:53:21 GMT 2023
PRIMARY
ECHA (EC/EINECS)
227-717-3
Created by admin on Sat Dec 16 08:53:21 GMT 2023 , Edited by admin on Sat Dec 16 08:53:21 GMT 2023
PRIMARY
PUBCHEM
3034877
Created by admin on Sat Dec 16 08:53:21 GMT 2023 , Edited by admin on Sat Dec 16 08:53:21 GMT 2023
PRIMARY
MERCK INDEX
m1900
Created by admin on Sat Dec 16 08:53:21 GMT 2023 , Edited by admin on Sat Dec 16 08:53:21 GMT 2023
PRIMARY Merck Index