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

Details

Stereochemistry RACEMIC
Molecular Formula C17H22O3
Molecular Weight 274.3548
Optical Activity ( + / - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CARBESTROL, CIS-

SMILES

CCC1=C(CC[C@H]([C@H]1C)C(O)=O)C2=CC=C(OC)C=C2

InChI

InChIKey=VJKVHUZOVAWKEB-XHDPSFHLSA-N
InChI=1S/C17H22O3/c1-4-14-11(2)15(17(18)19)9-10-16(14)12-5-7-13(20-3)8-6-12/h5-8,11,15H,4,9-10H2,1-3H3,(H,18,19)/t11-,15+/m0/s1

HIDE SMILES / InChI

Molecular Formula C17H22O3
Molecular Weight 274.3548
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 05:15:39 GMT 2023
Edited
by admin
on Sat Dec 16 05:15:39 GMT 2023
Record UNII
48PDB1W3H6
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CARBESTROL, CIS-
Common Name English
3-CYCLOHEXENE-1-CARBOXYLIC ACID, 3-ETHYL-4-(4-METHOXYPHENYL)-2-METHYL-, (1R,2R)-REL-
Common Name English
3-CYCLOHEXENE-1-CARBOXYLIC ACID, 3-ETHYL-4-(4-METHOXYPHENYL)-2-METHYL-, CIS-(±)-
Common Name English
3-CYCLOHEXENE-1-CARBOXYLIC ACID, 3-ETHYL-4-(4-METHOXYPHENYL)-2-METHYL-, CIS-
Common Name English
Code System Code Type Description
FDA UNII
48PDB1W3H6
Created by admin on Sat Dec 16 05:15:39 GMT 2023 , Edited by admin on Sat Dec 16 05:15:39 GMT 2023
PRIMARY
CAS
58893-85-9
Created by admin on Sat Dec 16 05:15:39 GMT 2023 , Edited by admin on Sat Dec 16 05:15:39 GMT 2023
PRIMARY
PUBCHEM
71587198
Created by admin on Sat Dec 16 05:15:39 GMT 2023 , Edited by admin on Sat Dec 16 05:15:39 GMT 2023
PRIMARY
EPA CompTox
DTXSID90207627
Created by admin on Sat Dec 16 05:15:39 GMT 2023 , Edited by admin on Sat Dec 16 05:15:39 GMT 2023
PRIMARY