7-Hydroxycannabidiol

CAT: 0926-H-1170-04Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0926-H-1170-04Size:10 mg

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CAS Number

50725-17-2

Smiles

C (C) (=C) [C@H]1[C@@] (C=C (CO) CC1) (C2=C (O) C=C (CCCCC) C=C2O) [H]

Molecular Formula

C21H30O3

Molecular Weight

330.36 g/mol

Shipping Conditions

Dry Ice

Controlled

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 Number	50725-17-2
PubChem CID	11301963
IUPAC Name	2-[(1R,6R)-3-(hydroxymethyl)-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylbenzene-1,3-diol
Molecular Formula	C21H30O3
Molecular Weight	330.5
XLogP	5.3
Topological Polar Surface Area	60.7
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	7
Heavy Atom Count	24
Formal Charge	0
Complexity	430

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

CAS: 50725-17-2

CID: 11301963

Formula: C21H30O3

MW: 330.5

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	330.5
XLogP3	5.3
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	7
Exact Mass	330.21949481
Monoisotopic Mass	330.21949481
Topological Polar Surface Area	60.7 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	430
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Alternative Products

Catalog	Name
CS-TB-66662	7-Hydroxycannabidiol
CS-B-00237	7-hydroxycannabidiol D10
HY-W775325S	7-Hydroxycannabidiol-d10
439728-01	7-Hydroxycannabidiol-d9
AR-C05404-01	7-Hydroxycannabidiol d-3
CS-TB-66095	1''-Hydroxycannabidiol
421280-01	2''-Hydroxycannabidiol
CS-TB-66093	6a-Hydroxycannabidiol
434037-01	4''-Hydroxycannabidiol
427800-01	3''-Hydroxycannabidiol

7-Hydroxycannabidiol

Chemical Information

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