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

Details

Stereochemistry ABSOLUTE
Molecular Formula C20H24O3
Molecular Weight 312.4028
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 6.ALPHA.-HYDROXY-ETHINYLESTRADIOL

SMILES

[H][C@@]12CC[C@@](O)(C#C)[C@@]1(C)CC[C@]3([H])C4=C(C=C(O)C=C4)[C@@H](O)C[C@@]23[H]

InChI

InChIKey=XFBUZQAUNLRYCT-VTPPTGSRSA-N
InChI=1S/C20H24O3/c1-3-20(23)9-7-17-15-11-18(22)16-10-12(21)4-5-13(16)14(15)6-8-19(17,20)2/h1,4-5,10,14-15,17-18,21-23H,6-9,11H2,2H3/t14-,15-,17+,18+,19+,20+/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
6.ALPHA.-HYDROXY-ETHINYLESTRADIOL
Common Name English
6.ALPHA.-HYDROXY-17.ALPHA.-ETHYNYLESTRADIOL
Common Name English
6.ALPHA.-HYDROXY-ETHINYL ESTRADIOL
Common Name English
ETHINYLESTRADIOL IMPURITY E [EP IMPURITY]
Common Name English
19-NORPREGNA-1,3,5(10)-TRIEN-20-YNE-3,6,17-TRIOL, (6.ALPHA.,17.ALPHA.)-
Common Name English
19-NOR-17.ALPHA.-PREGNA-1,3,5(10)-TRIEN-20-YNE-3,6.ALPHA.,17-TRIOL
Common Name English
Code System Code Type Description
RS_ITEM_NUM
1A00100
Created by admin on Sat Dec 16 00:36:46 GMT 2023 , Edited by admin on Sat Dec 16 00:36:46 GMT 2023
PRIMARY
PUBCHEM
13991348
Created by admin on Sat Dec 16 00:36:46 GMT 2023 , Edited by admin on Sat Dec 16 00:36:46 GMT 2023
PRIMARY
EPA CompTox
DTXSID40181943
Created by admin on Sat Dec 16 00:36:46 GMT 2023 , Edited by admin on Sat Dec 16 00:36:46 GMT 2023
PRIMARY
FDA UNII
GG3MQJ7K0L
Created by admin on Sat Dec 16 00:36:46 GMT 2023 , Edited by admin on Sat Dec 16 00:36:46 GMT 2023
PRIMARY
CAS
27521-34-2
Created by admin on Sat Dec 16 00:36:46 GMT 2023 , Edited by admin on Sat Dec 16 00:36:46 GMT 2023
PRIMARY