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

Details

Stereochemistry ABSOLUTE
Molecular Formula C21H30O2
Molecular Weight 314.4617
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 17.ALPHA.-ETHYLESTRADIOL 3-METHYL ETHER

SMILES

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

InChI

InChIKey=NVYBDSYHTNOJSQ-MJCUULBUSA-N
InChI=1S/C21H30O2/c1-4-21(22)12-10-19-18-7-5-14-13-15(23-3)6-8-16(14)17(18)9-11-20(19,21)2/h6,8,13,17-19,22H,4-5,7,9-12H2,1-3H3/t17-,18-,19+,20+,21+/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
17.ALPHA.-ETHYLESTRADIOL 3-METHYL ETHER
Common Name English
19-NOR-17.ALPHA.-PREGNA-1,3,5(10)-TRIEN-17-OL, 3-METHOXY-
Common Name English
NSC-74306
Code English
17.ALPHA.-ETHYL-17-HYDROXY-3-METHOXYESTRA-1,3,5(10)-TRIENE
Systematic Name English
17.ALPHA.-ETHYL-17.BETA.-ESTRADIOL 3-METHYL ETHER
Common Name English
19-NORPREGNA-1,3,5(10)-TRIEN-17-OL, 3-METHOXY-, (17.ALPHA.)-
Common Name English
3-METHOXY-19-NOR-17-.ALPHA.-PREGNA-1,3,5(10)-TRIEN-17-BETA-OL
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID00169989
Created by admin on Sat Dec 16 04:39:41 GMT 2023 , Edited by admin on Sat Dec 16 04:39:41 GMT 2023
PRIMARY
CAS
17550-03-7
Created by admin on Sat Dec 16 04:39:41 GMT 2023 , Edited by admin on Sat Dec 16 04:39:41 GMT 2023
PRIMARY
FDA UNII
ZF89X5QUZG
Created by admin on Sat Dec 16 04:39:41 GMT 2023 , Edited by admin on Sat Dec 16 04:39:41 GMT 2023
PRIMARY
ECHA (EC/EINECS)
241-535-1
Created by admin on Sat Dec 16 04:39:41 GMT 2023 , Edited by admin on Sat Dec 16 04:39:41 GMT 2023
PRIMARY
NSC
74306
Created by admin on Sat Dec 16 04:39:41 GMT 2023 , Edited by admin on Sat Dec 16 04:39:41 GMT 2023
PRIMARY
PUBCHEM
252399
Created by admin on Sat Dec 16 04:39:41 GMT 2023 , Edited by admin on Sat Dec 16 04:39:41 GMT 2023
PRIMARY