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

Details

Stereochemistry ABSOLUTE
Molecular Formula C20H30O2
Molecular Weight 302.451
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 8
E/Z Centers 0
Charge 0

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

SMILES

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

InChI

InChIKey=DPDZKJQFRFZZCW-GZZXEUMKSA-N
InChI=1S/C20H30O2/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/h1,13-18,21-22H,4-12H2,2H3/t13-,14+,15+,16-,17-,18+,19+,20+/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
17.ALPHA.-ETHYNYL-5.BETA.-ESTRANE-3.BETA.,17.BETA.-DIOL
Common Name English
3.BETA.,5.BETA.-TETRAHYDRONORETHINDRONE
Common Name English
17.ALPHA.-ETHYNYL-5.BETA.-OESTRANE-3.BETA.,17.BETA.-DIOL
Common Name English
3.BETA.,5.BETA.-TETRAHYDRONORETHISTERONE
Common Name English
19-NOR-5.BETA.,17.ALPHA.-PREGN-20-YNE-3.BETA.,17-DIOL
Common Name English
19-NOR-17.ALPHA.-PREGN-20-YNE-3.BETA.,17-DIOL
Common Name English
19-NORPREGN-20-YNE-3,17-DIOL, (3.BETA.,5.BETA.,17.ALPHA.)-
Common Name English
Code System Code Type Description
CAS
1093-46-5
Created by admin on Sat Dec 16 09:32:47 GMT 2023 , Edited by admin on Sat Dec 16 09:32:47 GMT 2023
PRIMARY
FDA UNII
6J9GJ44PA4
Created by admin on Sat Dec 16 09:32:48 GMT 2023 , Edited by admin on Sat Dec 16 09:32:48 GMT 2023
PRIMARY
PUBCHEM
14260697
Created by admin on Sat Dec 16 09:32:48 GMT 2023 , Edited by admin on Sat Dec 16 09:32:48 GMT 2023
PRIMARY