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

Details

Stereochemistry ABSOLUTE
Molecular Formula C21H36O2
Molecular Weight 320.5093
Optical Activity UNSPECIFIED
Defined Stereocenters 9 / 9
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 7.BETA.,17.ALPHA.-DIMETHYL-5.BETA.-ANDROSTANE-3.ALPHA.,17.BETA.-DIOL

SMILES

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

InChI

InChIKey=ZWQUPIDNCOVROC-NGVHUDCCSA-N
InChI=1S/C21H36O2/c1-13-11-14-12-15(22)5-8-19(14,2)16-6-9-20(3)17(18(13)16)7-10-21(20,4)23/h13-18,22-23H,5-12H2,1-4H3/t13-,14+,15+,16-,17-,18+,19-,20-,21-/m0/s1

HIDE SMILES / InChI

Molecular Formula C21H36O2
Molecular Weight 320.5093
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 8 / 9
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 10:12:46 GMT 2023
Edited
by admin
on Sat Dec 16 10:12:46 GMT 2023
Record UNII
26BFY4M691
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
7.BETA.,17.ALPHA.-DIMETHYL-5.BETA.-ANDROSTANE-3.ALPHA.,17.BETA.-DIOL
Common Name English
ANDROSTANE-3,17-DIOL, 7,17-DIMETHYL-, (3.ALPHA.,5.BETA.,7.BETA.,17.BETA.)-
Systematic Name English
7.BETA.,17-DIMETHYL-5.BETA.-ANDROSTANE-3.ALPHA.,17.BETA.-DIOL
Systematic Name English
Code System Code Type Description
PUBCHEM
102250712
Created by admin on Sat Dec 16 10:12:46 GMT 2023 , Edited by admin on Sat Dec 16 10:12:46 GMT 2023
PRIMARY
CAS
73245-61-1
Created by admin on Sat Dec 16 10:12:46 GMT 2023 , Edited by admin on Sat Dec 16 10:12:46 GMT 2023
PRIMARY
FDA UNII
26BFY4M691
Created by admin on Sat Dec 16 10:12:46 GMT 2023 , Edited by admin on Sat Dec 16 10:12:46 GMT 2023
PRIMARY