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

Details

Stereochemistry ABSOLUTE
Molecular Formula C19H22O2
Molecular Weight 282.3768
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 17.BETA.-METHYL-17.ALPHA.-DIHYDROEQUILENIN

SMILES

C[C@@]1(O)CC[C@H]2C3=C(CC[C@]12C)C4=C(C=C3)C=C(O)C=C4

InChI

InChIKey=FQMQOMRDADWGJJ-GBESFXJTSA-N
InChI=1S/C19H22O2/c1-18-9-7-15-14-6-4-13(20)11-12(14)3-5-16(15)17(18)8-10-19(18,2)21/h3-6,11,17,20-21H,7-10H2,1-2H3/t17-,18-,19+/m0/s1

HIDE SMILES / InChI

Molecular Formula C19H22O2
Molecular Weight 282.3768
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 18:24:40 GMT 2023
Edited
by admin
on Sat Dec 16 18:24:40 GMT 2023
Record UNII
ZP488KVU9Q
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
17.BETA.-METHYL-17.ALPHA.-DIHYDROEQUILENIN
Systematic Name English
(17.ALPHA.)-17-METHYLESTRA-1,3,5,7,9-PENTAENE-3,17-DIOL
Systematic Name English
ESTRA-1,3,5,7,9-PENTAENE-3,17-DIOL, 17-METHYL-, (17.ALPHA.)-
Systematic Name English
NCI-122
Code English
17.BETA.-METHYL-6,8-DIDEHYDRO-17.ALPHA.-ESTRADIOL,
Systematic Name English
Code System Code Type Description
FDA UNII
ZP488KVU9Q
Created by admin on Sat Dec 16 18:24:40 GMT 2023 , Edited by admin on Sat Dec 16 18:24:40 GMT 2023
PRIMARY
CAS
1011733-40-6
Created by admin on Sat Dec 16 18:24:40 GMT 2023 , Edited by admin on Sat Dec 16 18:24:40 GMT 2023
PRIMARY
WIKIPEDIA
17β-Methyl-17α-dihydroequilenin
Created by admin on Sat Dec 16 18:24:40 GMT 2023 , Edited by admin on Sat Dec 16 18:24:40 GMT 2023
PRIMARY
EPA CompTox
DTXSID201336494
Created by admin on Sat Dec 16 18:24:40 GMT 2023 , Edited by admin on Sat Dec 16 18:24:40 GMT 2023
PRIMARY
PUBCHEM
9549180
Created by admin on Sat Dec 16 18:24:40 GMT 2023 , Edited by admin on Sat Dec 16 18:24:40 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY