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Screening compounds

6alpha-Hydroxycannabidiol

Also known as 6alpha-hydroxy-CBD, 6alpha-HO-CBD, 6alpha-OH-CBD

CAS 58940-28-6Formula C21H30O3Molar mass 330.47 g/molEC 875-894-6
GHS signal word: Danger. Pictograms: Acute toxicity (severe) 1 supplier listed
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6alpha-Hydroxycannabidiol chemical structure, C21H30O3, CAS 58940-28-6
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
58940-28-6
Formula
C21H30O3
Molar mass
330.47 g/mol
EC number
875-894-6
HS code
290729
Category
Screening compounds

What is 6alpha-Hydroxycannabidiol?

Plain description, key identifiers and synonyms

6alpha-hydroxycannabidiol is a hydroxy-cannabidiol that is cannabidiol in which the 6-pro-S hydrogen of the cyclohexene ring has been replaced by a hydroxy group. It is one of the main metabolites of cannabidiol by human liver microsomes, produced by CYP2C19 and CYP3A. It has a role as a human xenobiotic metabolite. It is a hydroxy-cannabidiol, a member of resorcinols, a secondary alcohol and an olefinic compound.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
2-[(1R,4S,6R)-4-hydroxy-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylbenzene-1,3-diol
CAS number
58940-28-6
EC number
875-894-6
Molecular formula
C21H30O3
UNII
4JT5NXL2YQ
InChIKey
YYLPAYRRVSQJRR-KSZLIROESA-N
InChI
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
Canonical SMILES
C=C(C)C1CC(O)C(C)=CC1c1c(O)cc(CCCCC)cc1O
Isomeric SMILES
CCCCCC1=CC(=C(C(=C1)O)[C@@H]2C=C([C@H](C[C@H]2C(=C)C)O)C)O

Synonyms

  • 6alpha-hydroxy-CBD
  • 6alpha-HO-CBD
  • 6alpha-OH-CBD
  • 6alpha-HO-cannabidiol
  • 6alpha-OH-cannabidiol
  • 6alpha-hydroxy-cannabidiol
  • Cannabidiol metabolite (6alpha-hydroxycannabidiol)
  • 1,3-Benzenediol, 2-((1R,4S,6R)-4-hydroxy-3-methyl-6-(1-methylethenyl)-2-cyclohexen-1-yl)-5-pentyl-
  • 2-((1R,4S,6R)-4-Hydroxy-3-methyl-6-(1-methylethenyl)-2-cyclohexen-1-yl)-5-pentyl-1,3-benzenediol
  • (1'R,2'R,4'S)-5'-methyl-4-pentyl-2'-(prop-1-en-2-yl)-1',2',3',4'-tetrahydrobiphenyl-2,4',6-triol
  • 1,3-Benzenediol, 2-(4-hydroxy-3-methyl-6-(1-methylethenyl)-2-cyclohexen-1-yl)-5-pentyl-, (1r-(1alpha,4beta,6.beta.))-
  • 1,3-Benzenediol, 2-(4-hydroxy-3-methyl-6-(1-methylethenyl)-2-cyclohexen-1-yl)-5-pentyl-, (1R-(1alpha,4beta,6beta))-
  • 2-[(1R,4S,6R)-4-hydroxy-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylbenzene-1,3-diol
  • (1'R,2'R,4'S)-5'-Methyl-4-pentyl-2'-(prop-1-en-2-yl)-1',2',3',4'-tetrahydro-[1,1'-biphenyl]-2,4',6-triol
  • 1,3-Benzenediol,2-[4-hydroxy-3-methyl-6-(1-methylethenyl)-2-cyclohexen-1-yl]-5-pentyl-,[1R-(1a,4b,6b)]-
  • (?)-6?-hydroxy Cannabidiol
  • (-)-6|A-Hydroxy cannabidiol
  • [1R-(1alpha,4beta,6beta)]-2-[4-Hydroxy-3-methyl-6-(1-methylethenyl)-2-cyclohexen-1-yl]-5-pentyl-1,3-benzenediol

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
330.47 g/molcalc.
Exact mass
330.2195 Dacalc.
LogP (octanol/water)
4.82calc.
Topological polar surface area
60.69 Ųcalc.
Hydrogen bond donors
3calc.
Hydrogen bond acceptors
3calc.
Rotatable bonds
6calc.
Heavy atoms
24calc.
Rings
2calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.52calc.
Formal charge
0calc.
Stereocentres
3calc.
Lipinski rule of five
Passes (0 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, C1=CC(c2ccccc2)CCC1

C1=CC(c2ccccc2)CCC1

2 rings, 12 atoms, the 1,2,3,4-Tetrahydro-1,1'-biphenyl ring system.

157 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Danger
GHS06: Acute toxicity (severe)
Acute toxicity (severe)

Hazard statements

  • H301Toxic if swallowed.
  • H413May cause long lasting harmful effects to aquatic life.
Precautionary statements (8)
  • P264Wash skin thoroughly after handling.
  • P270Do not eat, drink or smoke when using this product.
  • P273Avoid release to the environment.
  • P301 + P316If swallowed: Get emergency medical help immediately.
  • P321Specific treatment (see supplemental first aid instructions on the label).
  • P330Rinse mouth.
  • P405Store locked up.
  • P501Dispose of contents and container in accordance with local regulations.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Full safety data and first aid

6alpha-Hydroxycannabidiol suppliers

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6alpha-Hydroxycannabidiol price

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Uses and applications

What the substance is used for, by industry and function

Roles

  • animal metabolite
  • eukaryotic metabolite
  • human metabolite
  • human xenobiotic metabolite
  • mammalian metabolite
  • metabolite
  • xenobiotic metabolite

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code 6alpha-Hydroxycannabidiol is traded under.

HS 2907.29Indicative HS code

Polyphenols, phenol-alcohols, other

World exports in 2024
$535M
−27.0% vs 2023, imports $565M
2019 to 2024
Top exporters
  1. India * partner reported17.7%
  2. Germany16.5%
  3. Japan15.8%
Top importers
  1. United States13.1%
  2. Japan8.0%
  3. Belgium7.9%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

The HS code shown for 6alpha-Hydroxycannabidiol is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about 6alpha-Hydroxycannabidiol, based on the data on this page

What is 6alpha-Hydroxycannabidiol?

6alpha-hydroxycannabidiol is a hydroxy-cannabidiol that is cannabidiol in which the 6-pro-S hydrogen of the cyclohexene ring has been replaced by a hydroxy group. It is one of the main metabolites of cannabidiol by human liver microsomes, produced by CYP2C19 and CYP3A. It has a role as a human xenobiotic metabolite.

Is 6alpha-Hydroxycannabidiol hazardous?

6alpha-Hydroxycannabidiol carries the GHS signal word "Danger". Main hazards: toxic if swallowed, may cause long lasting harmful effects to aquatic life. This summary is not an SDS, always read the supplier safety data sheet.

Guides for buyers

Practical guides that help when you source, ship or handle 6alpha-Hydroxycannabidiol

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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