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Cannabispirenone A

CAT: 0804-HY-N9062Size: 1 EachDry Ice: NoHazardous: No
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Description
Cannabispirenone A is a Phenols product that can be isolated from the herbs of Thailand Cannabis.[1].
CAS Number
63213-00-3
UNSPSC
12352005
Target
Others
Type
Natural Products
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/cannabispirenone-a.html
Smiles
OC1=C2[C@]3(CCC(C=C3)=O)CCC2=CC(OC)=C1
Molecular Formula
C15H16O3
Molecular Weight
244.29
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

Cannabispirenone A
CAS Number63213-00-3
PubChem CID182364
IUPAC Name4-hydroxy-6-methoxyspiro[1,2-dihydroindene-3,4'-cyclohex-2-ene]-1'-one
Molecular FormulaC15H16O3
Molecular Weight244.28
XLogP2.5
Topological Polar Surface Area46.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count18
Formal Charge0
Complexity376
SMILES
COC1=CC2=C(C(=C1)O)C3(CCC(=O)C=C3)CC2
InChI
InChI=1S/C15H16O3/c1-18-12-8-10-2-5-15(14(10)13(17)9-12)6-3-11(16)4-7-15/h3,6,8-9,17H,2,4-5,7H2,1H3
InChIKey
MVYJADZNMQXLJB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Cannabispirenone A
CAS: 63213-00-3
CID: 182364
Formula: C15H16O3
MW: 244.28
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight244.28
XLogP32.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass244.109944368
Monoisotopic Mass244.109944368
Topological Polar Surface Area46.5 Ų
Heavy Atom Count18
Formal Charge0
Complexity376
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
GTR19181921Cannabispirenone A

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