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

Details

Stereochemistry ABSOLUTE
Molecular Formula C19H30O3
Molecular Weight 306.4397
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

SMILES

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

InChI

InChIKey=PIXFHVWJOVNKQK-CZQRWWPKSA-N
InChI=1S/C19H30O3/c1-18-8-7-12(20)9-11(18)3-4-13-14-5-6-16(22)19(14,2)10-15(21)17(13)18/h11-15,17,20-21H,3-10H2,1-2H3/t11-,12-,13-,14-,15-,17+,18-,19-/m0/s1

HIDE SMILES / InChI

Molecular Formula C19H30O3
Molecular Weight 306.4397
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 8 / 8
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:03:09 GMT 2023
Edited
by admin
on Sat Dec 16 08:03:09 GMT 2023
Record UNII
B6I75KUE58
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ANDROSTANE-3.BETA.,11.BETA.-DIOL-17-ONE
MI  
Common Name English
11-HYDROXYISOANDROSTERONE
Common Name English
ANDROSTAN-17-ONE, 3,11-DIHYDROXY-, (3.BETA.,5.ALPHA.,11.BETA.)-
Systematic Name English
11.BETA.-HYDROXYEPIANDROSTERONE
Common Name English
11-HYDROXYEPIANDROSTERONE
Common Name English
ANDROSTANE-3.BETA.,11.BETA.-DIOL-17-ONE [MI]
Common Name English
Code System Code Type Description
CAS
514-17-0
Created by admin on Sat Dec 16 08:03:09 GMT 2023 , Edited by admin on Sat Dec 16 08:03:09 GMT 2023
PRIMARY
MERCK INDEX
m1899
Created by admin on Sat Dec 16 08:03:09 GMT 2023 , Edited by admin on Sat Dec 16 08:03:09 GMT 2023
PRIMARY Merck Index
PUBCHEM
16061357
Created by admin on Sat Dec 16 08:03:09 GMT 2023 , Edited by admin on Sat Dec 16 08:03:09 GMT 2023
PRIMARY
EPA CompTox
DTXSID101019310
Created by admin on Sat Dec 16 08:03:09 GMT 2023 , Edited by admin on Sat Dec 16 08:03:09 GMT 2023
PRIMARY
FDA UNII
B6I75KUE58
Created by admin on Sat Dec 16 08:03:09 GMT 2023 , Edited by admin on Sat Dec 16 08:03:09 GMT 2023
PRIMARY