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

Details

Stereochemistry ABSOLUTE
Molecular Formula C18H22O2
Molecular Weight 270.3661
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 8-ISOESTRONE

SMILES

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

InChI

InChIKey=DNXHEGUUPJUMQT-CVYDXHPNSA-N
InChI=1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16,19H,2,4,6-9H2,1H3/t14-,15+,16+,18+/m1/s1

HIDE SMILES / InChI

Molecular Formula C18H22O2
Molecular Weight 270.3661
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 09:52:54 GMT 2023
Edited
by admin
on Sat Dec 16 09:52:54 GMT 2023
Record UNII
SE9LJV29ZO
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
8-ISOESTRONE
MI  
Common Name English
1,3,5-8.ALPHA.-EPIESTRATRIEN-17-ONE-3-OL
Common Name English
ISOESTRONE
Common Name English
ESTRA-1,3,5(10)-TRIEN-17-ONE, 3-HYDROXY-, (8.ALPHA.)-
Systematic Name English
8-EPIESTRONE
Common Name English
8.ALPHA.-ESTRONE
Common Name English
8-ISOESTRONE [MI]
Common Name English
Code System Code Type Description
MERCK INDEX
m6483
Created by admin on Sat Dec 16 09:52:54 GMT 2023 , Edited by admin on Sat Dec 16 09:52:54 GMT 2023
PRIMARY Merck Index
CAS
517-06-6
Created by admin on Sat Dec 16 09:52:54 GMT 2023 , Edited by admin on Sat Dec 16 09:52:54 GMT 2023
PRIMARY
FDA UNII
SE9LJV29ZO
Created by admin on Sat Dec 16 09:52:54 GMT 2023 , Edited by admin on Sat Dec 16 09:52:54 GMT 2023
PRIMARY
PUBCHEM
9547221
Created by admin on Sat Dec 16 09:52:54 GMT 2023 , Edited by admin on Sat Dec 16 09:52:54 GMT 2023
PRIMARY