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

Details

Stereochemistry ABSOLUTE
Molecular Formula C20H30O5S
Molecular Weight 382.514
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 8
E/Z Centers 0
Charge 0

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

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](CC[C@]34[H])OS(O)(=O)=O

InChI

InChIKey=CQXVLZHFSPUCGL-WSIJOFGPSA-N
InChI=1S/C20H30O5S/c1-3-20(21)11-9-18-17-6-4-13-12-14(25-26(22,23)24)5-7-15(13)16(17)8-10-19(18,20)2/h1,13-18,21H,4-12H2,2H3,(H,22,23,24)/t13-,14-,15-,16+,17+,18-,19-,20-/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
17.ALPHA.-ETHYNYL-5.ALPHA.-ESTRANE-3.BETA.,17.BETA.-DIOL-3-SULFATE
Common Name English
Code System Code Type Description
FDA UNII
K8E6YWG882
Created by admin on Sat Dec 16 18:28:32 GMT 2023 , Edited by admin on Sat Dec 16 18:28:32 GMT 2023
PRIMARY
PUBCHEM
122196595
Created by admin on Sat Dec 16 18:28:32 GMT 2023 , Edited by admin on Sat Dec 16 18:28:32 GMT 2023
PRIMARY