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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H28O3
Molecular Weight 328.4452
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SEGESTERONE

SMILES

CC(=O)[C@@]1(O)C(=C)C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12C

InChI

InChIKey=SFLXYFZGKSGFKA-XUDSTZEESA-N
InChI=1S/C21H28O3/c1-12-10-19-18-6-4-14-11-15(23)5-7-16(14)17(18)8-9-20(19,3)21(12,24)13(2)22/h11,16-19,24H,1,4-10H2,2-3H3/t16-,17+,18+,19-,20-,21-/m0/s1

HIDE SMILES / InChI

Molecular Formula C21H28O3
Molecular Weight 328.4452
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry
Defined Stereocenters 6 / 6
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Tue Mar 06 17:13:07 UTC 2018
Edited
by admin
on Tue Mar 06 17:13:07 UTC 2018
Record UNII
09Q5UV3747
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SEGESTERONE
INN   USAN  
USAN   INN  
Official Name English
SEGESTERONE [INN]
Common Name English
SEGESTERONE [USAN]
Common Name English
Code System Code Type Description
INN
8221
Created by admin on Tue Mar 06 17:13:07 UTC 2018 , Edited by admin on Tue Mar 06 17:13:07 UTC 2018
PRIMARY
ChEMBL
CHEMBL2107778
Created by admin on Tue Mar 06 17:13:07 UTC 2018 , Edited by admin on Tue Mar 06 17:13:07 UTC 2018
PRIMARY
NCI_THESAURUS
C66532
Created by admin on Tue Mar 06 17:13:07 UTC 2018 , Edited by admin on Tue Mar 06 17:13:07 UTC 2018
PRIMARY
CAS
7690-08-6
Created by admin on Tue Mar 06 17:13:07 UTC 2018 , Edited by admin on Tue Mar 06 17:13:07 UTC 2018
PRIMARY
PUBCHEM
11823650
Created by admin on Tue Mar 06 17:13:07 UTC 2018 , Edited by admin on Tue Mar 06 17:13:07 UTC 2018
PRIMARY SWITZERF
Related Record Type Details
ACTIVE MOIETY