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Details

Stereochemistry RACEMIC
Molecular Formula C18H22O2
Molecular Weight 270.3661
Optical Activity ( + / - )
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 8-ISOESTRONE, (±)-

SMILES

C[C@]12CC[C@H]3[C@H](CCC4=C3C=CC(O)=C4)[C@@H]1CCC2=O

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 Mon Mar 31 22:53:07 GMT 2025
Edited
by admin
on Mon Mar 31 22:53:07 GMT 2025
Record UNII
3K9T4NLK5Q
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(±)-8-ISOESTRONE
Preferred Name English
8-ISOESTRONE, (±)-
Common Name English
ESTRA-1,3,5(10)-TRIEN-17-ONE, 3-HYDROXY-, (8.ALPHA.)-(±)-
Systematic Name English
8-ISOESTRONE DL-FORM [MI]
Common Name English
DL-8-ISOESTRONE
Common Name English
Code System Code Type Description
CAS
4680-83-5
Created by admin on Mon Mar 31 22:53:07 GMT 2025 , Edited by admin on Mon Mar 31 22:53:07 GMT 2025
PRIMARY
MERCK INDEX
m6483
Created by admin on Mon Mar 31 22:53:07 GMT 2025 , Edited by admin on Mon Mar 31 22:53:07 GMT 2025
PRIMARY Merck Index
FDA UNII
3K9T4NLK5Q
Created by admin on Mon Mar 31 22:53:07 GMT 2025 , Edited by admin on Mon Mar 31 22:53:07 GMT 2025
PRIMARY