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

Details

Stereochemistry ABSOLUTE
Molecular Formula C18H30O2
Molecular Weight 278.4296
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 8
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ESTRANE-3,17-DIOL, (3.ALPHA.,5.BETA.,17.BETA.)-

SMILES

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

InChI

InChIKey=QNKATSBSLLYTMH-QPZWGXJQSA-N
InChI=1S/C18H30O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h11-17,19-20H,2-10H2,1H3/t11-,12-,13+,14-,15-,16+,17+,18+/m1/s1

HIDE SMILES / InChI

Molecular Formula C18H30O2
Molecular Weight 278.4296
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 Mon Mar 31 21:24:18 GMT 2025
Edited
by admin
on Mon Mar 31 21:24:18 GMT 2025
Record UNII
X4SO0472HB
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-81400
Preferred Name English
ESTRANE-3,17-DIOL, (3.ALPHA.,5.BETA.,17.BETA.)-
Systematic Name English
5.BETA.-ESTRANE-3.ALPHA.,17.BETA.-DIOL
Systematic Name English
19-NOR-5.BETA.-ANDROSTANE-3.ALPHA.,17.BETA.-DIOL
Common Name English
5.BETA.-ESTRAN-3.ALPHA.,17.BETA.-DIOL
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID50142868
Created by admin on Mon Mar 31 21:24:18 GMT 2025 , Edited by admin on Mon Mar 31 21:24:18 GMT 2025
PRIMARY
NSC
81400
Created by admin on Mon Mar 31 21:24:18 GMT 2025 , Edited by admin on Mon Mar 31 21:24:18 GMT 2025
PRIMARY
FDA UNII
X4SO0472HB
Created by admin on Mon Mar 31 21:24:18 GMT 2025 , Edited by admin on Mon Mar 31 21:24:18 GMT 2025
PRIMARY
CAS
10002-97-8
Created by admin on Mon Mar 31 21:24:18 GMT 2025 , Edited by admin on Mon Mar 31 21:24:18 GMT 2025
PRIMARY
PUBCHEM
255697
Created by admin on Mon Mar 31 21:24:18 GMT 2025 , Edited by admin on Mon Mar 31 21:24:18 GMT 2025
PRIMARY