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

Details

Stereochemistry UNKNOWN
Molecular Formula C21H30O3
Molecular Weight 330.4619
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1''-HYDROXYCANNABIDIOL

SMILES

CCCCC([H])(c1cc(c([C@]2([H])C=C(C)CC[C@@]2([H])C(=C)C)c(c1)O)O)O

InChI

InChIKey=OEWBQBNIVUMUKU-MYFVLZFPSA-N
InChI=1S/C21H30O3/c1-5-6-7-18(22)15-11-19(23)21(20(24)12-15)17-10-14(4)8-9-16(17)13(2)3/h10-12,16-18,22-24H,2,5-9H2,1,3-4H3/t16-,17+,18?/m0/s1

HIDE SMILES / InChI

Molecular Formula C21H30O3
Molecular Weight 330.4619
Charge 0
Count
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 2 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Jun 26 06:48:30 UTC 2021
Edited
by admin
on Sat Jun 26 06:48:30 UTC 2021
Record UNII
U45CL3JN5E
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1''-HYDROXYCANNABIDIOL
Common Name English
CANNABIDIOL METABOLITE (1''-HYDROXYCANNABIDIOL)
Common Name English
1,3-BENZENEDIOL, 5-(1-HYDROXYPENTYL)-2-((1R,6R)-3-METHYL-6-(1-METHYLETHENYL)-2-CYCLOHEXEN-1-YL)-
Systematic Name English
Code System Code Type Description
PUBCHEM
121596213
Created by admin on Sat Jun 26 06:48:30 UTC 2021 , Edited by admin on Sat Jun 26 06:48:30 UTC 2021
PRIMARY
CAS
2231221-49-9
Created by admin on Sat Jun 26 06:48:30 UTC 2021 , Edited by admin on Sat Jun 26 06:48:30 UTC 2021
PRIMARY
FDA UNII
U45CL3JN5E
Created by admin on Sat Jun 26 06:48:30 UTC 2021 , Edited by admin on Sat Jun 26 06:48:30 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
MINOR