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

Details

Stereochemistry ABSOLUTE
Molecular Formula C21H30O3
Molecular Weight 330.4611
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 6ALPHA-HYDROXYCANNABIDIOL

SMILES

CCCCCC1=CC(O)=C([C@@H]2C=C(C)[C@@H](O)C[C@H]2C(C)=C)C(O)=C1

InChI

InChIKey=YYLPAYRRVSQJRR-KSZLIROESA-N
InChI=1S/C21H30O3/c1-5-6-7-8-15-10-19(23)21(20(24)11-15)17-9-14(4)18(22)12-16(17)13(2)3/h9-11,16-18,22-24H,2,5-8,12H2,1,3-4H3/t16-,17+,18-/m0/s1

HIDE SMILES / InChI

Molecular Formula C21H30O3
Molecular Weight 330.4611
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 15:04:09 UTC 2023
Edited
by admin
on Sat Dec 16 15:04:09 UTC 2023
Record UNII
4JT5NXL2YQ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
6ALPHA-HYDROXYCANNABIDIOL
Common Name English
6.ALPHA.-HYDROXYCANNABIDIOL
Common Name English
1,3-BENZENEDIOL, 2-((1R,4S,6R)-4-HYDROXY-3-METHYL-6-(1-METHYLETHENYL)-2-CYCLOHEXEN-1-YL)-5-PENTYL-
Systematic Name English
CANNABIDIOL METABOLITE (6.ALPHA.-HYDROXYCANNABIDIOL)
Common Name English
1,3-BENZENEDIOL, 2-(4-HYDROXY-3-METHYL-6-(1-METHYLETHENYL)-2-CYCLOHEXEN-1-YL)-5-PENTYL-, (1R-(1.ALPHA.,4.BETA.,6.BETA.))-
Systematic Name English
2-((1R,4S,6R)-4-HYDROXY-3-METHYL-6-(1-METHYLETHENYL)-2-CYCLOHEXEN-1-YL)-5-PENTYL-1,3-BENZENEDIOL
Systematic Name English
Code System Code Type Description
CAS
58940-28-6
Created by admin on Sat Dec 16 15:04:09 UTC 2023 , Edited by admin on Sat Dec 16 15:04:09 UTC 2023
PRIMARY
FDA UNII
4JT5NXL2YQ
Created by admin on Sat Dec 16 15:04:09 UTC 2023 , Edited by admin on Sat Dec 16 15:04:09 UTC 2023
PRIMARY
PUBCHEM
53357350
Created by admin on Sat Dec 16 15:04:09 UTC 2023 , Edited by admin on Sat Dec 16 15:04:09 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
MAJOR