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

Details

Stereochemistry ABSOLUTE
Molecular Formula C18H24O2
Molecular Weight 272.382
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 16.BETA.-ESTRADIOL

SMILES

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

InChI

InChIKey=DVMAUGGKVWJBDV-IREHDKGXSA-N
InChI=1S/C18H24O2/c1-18-7-6-15-14-5-3-12(19)8-11(14)2-4-16(15)17(18)9-13(20)10-18/h3,5,8,13,15-17,19-20H,2,4,6-7,9-10H2,1H3/t13-,15+,16+,17-,18+/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
16.BETA.-ESTRADIOL
Common Name English
3,16.BETA.-DIHYDROXYESTRA-1,3,5(10)-TRIENE
Systematic Name English
ESTRA-1,3,5(10)-TRIENE-3,16-DIOL, (16.BETA.)-
Systematic Name English
ESTRA-1,3,5(10)-TRIENE-3,16.BETA.-DIOL
Systematic Name English
NSC-46476
Code English
Code System Code Type Description
NSC
46476
Created by admin on Sat Dec 16 05:45:44 GMT 2023 , Edited by admin on Sat Dec 16 05:45:44 GMT 2023
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CAS
1225-58-7
Created by admin on Sat Dec 16 05:45:44 GMT 2023 , Edited by admin on Sat Dec 16 05:45:44 GMT 2023
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FDA UNII
06J092O3KB
Created by admin on Sat Dec 16 05:45:44 GMT 2023 , Edited by admin on Sat Dec 16 05:45:44 GMT 2023
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EPA CompTox
DTXSID601296531
Created by admin on Sat Dec 16 05:45:44 GMT 2023 , Edited by admin on Sat Dec 16 05:45:44 GMT 2023
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PUBCHEM
240337
Created by admin on Sat Dec 16 05:45:44 GMT 2023 , Edited by admin on Sat Dec 16 05:45:44 GMT 2023
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