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7-Hydroxycannabidiol

CAT: 1596-AR-C05401-05Size: 150Dry Ice: NoHazardous: No
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CAS Number
50725-17-2
Synonyms
2-[ (1R,6R) -3- (hydroxymethyl) -6- (1-methylethenyl) -2-cyclohexen-1-yl]-5-pentyl-1,3-benzenediol
Molecular Formula
C21H30O3
Molecular Weight
330.36
API Name
Cannabidiol

Chemical Information

7-Hydroxycannabidiol

7-hydroxycannabidiol is a hydroxy-cannabidiol that is cannabidiol in which the methyl group that is attached to the double bond of the cyclohexene ring has been oxidised to the corresponding hydroxymethyl group. It is one of the main metabolites of cannabidiol by human liver microsomes, produced particularly by CYP2C19. It has a role as a human xenobiotic metabolite. It is a hydroxy-cannabidiol, a primary alcohol, a member of resorcinols and an olefinic compound.

CAS Number50725-17-2
PubChem CID11301963
IUPAC Name2-[(1R,6R)-3-(hydroxymethyl)-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylbenzene-1,3-diol
Molecular FormulaC21H30O3
Molecular Weight330.5
XLogP5.3
Topological Polar Surface Area60.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count7
Heavy Atom Count24
Formal Charge0
Complexity430
SMILES
CCCCCC1=CC(=C(C(=C1)O)[C@@H]2C=C(CC[C@H]2C(=C)C)CO)O
InChI
InChI=1S/C21H30O3/c1-4-5-6-7-15-11-19(23)21(20(24)12-15)18-10-16(13-22)8-9-17(18)14(2)3/h10-12,17-18,22-24H,2,4-9,13H2,1,3H3/t17-,18+/m0/s1
InChIKey
ZELUXPWDPVXUEI-ZWKOTPCHSA-N
Chemical Structure
2D Structure
2D structure of 7-Hydroxycannabidiol
CAS: 50725-17-2
CID: 11301963
Formula: C21H30O3
MW: 330.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight330.5
XLogP35.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count7
Exact Mass330.21949481
Monoisotopic Mass330.21949481
Topological Polar Surface Area60.7 Ų
Heavy Atom Count24
Formal Charge0
Complexity430
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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