U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS
This repository is under review for potential modification in compliance with Administration directives.

Details

Stereochemistry ABSOLUTE
Molecular Formula C20H28O2
Molecular Weight 300.4351
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CANNABIDIBUTOL

SMILES

CCCCC1=CC(O)=C([C@@H]2C=C(C)CC[C@H]2C(C)=C)C(O)=C1

InChI

InChIKey=WBRXESQKGXYDOL-DLBZAZTESA-N
InChI=1S/C20H28O2/c1-5-6-7-15-11-18(21)20(19(22)12-15)17-10-14(4)8-9-16(17)13(2)3/h10-12,16-17,21-22H,2,5-9H2,1,3-4H3/t16-,17+/m0/s1

HIDE SMILES / InChI

Molecular Formula C20H28O2
Molecular Weight 300.4351
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 Mon Mar 31 22:32:21 GMT 2025
Edited
by admin
on Mon Mar 31 22:32:21 GMT 2025
Record UNII
SSJ25E98QV
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CANNABIDIOL-C4
Preferred Name English
CANNABIDIBUTOL
Common Name English
1,3-BENZENEDIOL, 5-BUTYL-2-(3-METHYL-6-(1-METHYLETHENYL)-2-CYCLOHEXEN-1-YL)-, (1R-TRANS)-
Systematic Name English
CBD-C4
Common Name English
Code System Code Type Description
FDA UNII
SSJ25E98QV
Created by admin on Mon Mar 31 22:32:21 GMT 2025 , Edited by admin on Mon Mar 31 22:32:21 GMT 2025
PRIMARY
CAS
60113-11-3
Created by admin on Mon Mar 31 22:32:21 GMT 2025 , Edited by admin on Mon Mar 31 22:32:21 GMT 2025
PRIMARY
EPA CompTox
DTXSID301345995
Created by admin on Mon Mar 31 22:32:21 GMT 2025 , Edited by admin on Mon Mar 31 22:32:21 GMT 2025
PRIMARY
PUBCHEM
59444413
Created by admin on Mon Mar 31 22:32:21 GMT 2025 , Edited by admin on Mon Mar 31 22:32:21 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> CONSTITUENT ALWAYS PRESENT
Cannabidiol Class