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Chemical structure of Cannabidiorcol
Cannabinoids

Cannabidiorcol

C1-大麻二酚

PHY-NP-04885 · Natural product research catalog

Catalog numberPHY-NP-04885
CAS number35482-50-9
Molecular formulaC17H22O2
Molecular weight258.361 g/mol
Chemical classCannabinoids
Purity / assayConfirmed in quotation and batch COA

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Product information

Cannabidiorcol is listed in the Cannabinoids section of the Phytide Bio research catalog. Standard pack sizes are 5, 10, 20, 50 and 100 mg.

For research use only. Not for human or veterinary use, diagnosis or treatment.

Names & identifiers

IUPAC name5-methyl-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]benzene-1,3-diol
SMILESCC1=C[C@H]([C@@H](CC1)C(=C)C)C2=C(C=C(C=C2O)C)O
InChIKeyGKVOVXWEBSQJPA-UONOGXRCSA-N
Subclass / scaffoldCannabinoids
PubChem CID16657068

Computed properties & structure classification

Exact mass (Da)258.162Predicted LogP4.4222
Predicted TPSA (Ų)40.46H-bond donors2
H-bond acceptors2Rotatable bonds2
Ring count2Aromatic rings1
Fraction Csp³0.412Synthetic accessibility score3.53
QED score0.771Lipinski rule violations0
NPClassifier pathwayPolyketides;TerpenoidsNPClassifier superclassMeroterpenoids
NPClassifier classCannabinoidsParent SMILESC=C(C)[C@@H]1CCC(C)=C[C@H]1c1c(O)cc(C)cc1O
Parent formulaC17H22O2Parent molecular weight258.361
Specified stereocenters2Unspecified stereocenters0

Structure-derived values from the supplied dataset; not measured batch specifications or experimentally verified activity.

Reported natural occurrence

Main reported sourceCannabis sativa
LOTUS species records0
LOTUS reference records0
COCONUT occurrence recordsCannabis sativa
COCONUT organism records1
COCONUT identifierCNP0502918.0

Occurrence records are inherited from the supplied dataset. They do not establish manufacturing origin, batch traceability or independent literature verification. Taxonomic names may include synonyms.

Structure resources

Documents & specifications

Certificate of analysis (COA)Batch-specific document pending; not available in this preview
Safety data sheet (SDS)Not yet published
Storage / solubilityProduct-specific conditions to be confirmed
ShippingConfirmed with the quotation

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