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

Details

Stereochemistry UNKNOWN
Molecular Formula C22H30O4
Molecular Weight 358.4712
Optical Activity ( + )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CANNABICHROMENIC ACID, (+)-

SMILES

CCCCCC1=C(C(O)=O)C(O)=C2C=CC(C)(CCC=C(C)C)OC2=C1

InChI

InChIKey=HRHJHXJQMNWQTF-UHFFFAOYSA-N
InChI=1S/C22H30O4/c1-5-6-7-10-16-14-18-17(20(23)19(16)21(24)25)11-13-22(4,26-18)12-8-9-15(2)3/h9,11,13-14,23H,5-8,10,12H2,1-4H3,(H,24,25)

HIDE SMILES / InChI

Molecular Formula C22H30O4
Molecular Weight 358.4712
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 09:10:17 UTC 2023
Edited
by admin
on Sat Dec 16 09:10:17 UTC 2023
Record UNII
NNW8UMP980
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CANNABICHROMENIC ACID, (+)-
Common Name English
2H-1-BENZOPYRAN-6-CARBOXYLIC ACID, 5-HYDROXY-2-METHYL-2-(4-METHYL-3-PENTEN-1-YL)-7-PENTYL-, (+)-
Systematic Name English
2H-1-BENZOPYRAN-6-CARBOXYLIC ACID, 5-HYDROXY-2-METHYL-2-(4-METHYL-3-PENTENYL)-7-PENTYL-, (+)-
Common Name English
CBCA
Code English
(+)-5-HYDROXY-2-METHYL-2-(4-METHYL-3-PENTEN-1-YL)-7-PENTYL-2H-1-BENZOPYRAN-6-CARBOXYLIC ACID
Common Name English
Code System Code Type Description
FDA UNII
NNW8UMP980
Created by admin on Sat Dec 16 09:10:17 UTC 2023 , Edited by admin on Sat Dec 16 09:10:17 UTC 2023
PRIMARY
PUBCHEM
3084339
Created by admin on Sat Dec 16 09:10:17 UTC 2023 , Edited by admin on Sat Dec 16 09:10:17 UTC 2023
PRIMARY PUBCHEM
CAS
20408-52-0
Created by admin on Sat Dec 16 09:10:17 UTC 2023 , Edited by admin on Sat Dec 16 09:10:17 UTC 2023
PRIMARY
CHEBI
167557
Created by admin on Sat Dec 16 09:10:17 UTC 2023 , Edited by admin on Sat Dec 16 09:10:17 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> CONSTITUENT ALWAYS PRESENT
Cannabichromene Class
RACEMATE -> ENANTIOMER