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

Details

Stereochemistry ABSOLUTE
Molecular Formula C20H34O2
Molecular Weight 306.4828
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 8
E/Z Centers 0
Charge 0

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

SMILES

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

InChI

InChIKey=GUBNWXDDDXQJOQ-VIVHBNLFSA-N
InChI=1S/C20H34O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h13-18,21-22H,3-12H2,1-2H3/t13-,14-,15+,16-,17-,18+,19+,20+/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
17.ALPHA.-ETHYL-5.BETA.-ESTRANE-3.ALPHA.,17.BETA.-DIOL
Common Name English
(3.ALPHA.,5.BETA.,17.ALPHA.)-19-NORPREGNANE-3,17-DIOL
Systematic Name English
17.ALPHA.-ETHYL-5B-ESTRANE-3.ALPHA.,17.BETA.-DIOL
Systematic Name English
19-NORPREGNANE-3,17-DIOL, (3.ALPHA.,5.BETA.,17.ALPHA.)-
Systematic Name English
19-NOR-5.BETA.,17.ALPHA.-PREGNANE-3.ALPHA.,17-DIOL
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID00478225
Created by admin on Sat Dec 16 10:20:30 GMT 2023 , Edited by admin on Sat Dec 16 10:20:30 GMT 2023
PRIMARY
PUBCHEM
12133281
Created by admin on Sat Dec 16 10:20:30 GMT 2023 , Edited by admin on Sat Dec 16 10:20:30 GMT 2023
PRIMARY
FDA UNII
2Z4EDE9VR5
Created by admin on Sat Dec 16 10:20:30 GMT 2023 , Edited by admin on Sat Dec 16 10:20:30 GMT 2023
PRIMARY
CAS
31658-50-1
Created by admin on Sat Dec 16 10:20:30 GMT 2023 , Edited by admin on Sat Dec 16 10:20:30 GMT 2023
PRIMARY