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(+) -Δ9-THC

CAT: 0926-SAA76602-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0926-SAA76602-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
17766-02-8
Smiles
CCCCCC1=CC (=C2C3C=C (CCC3C (OC2=C1) (C) C) C) O
Molecular Formula
C21H30O2
Molecular Weight
314.5 g/mol
Controlled
Yes

Chemical Information

(6aS,10aS)-6a,7,8,10a-Tetrahydro-6,6,9-trimethyl-3-pentyl-6H-dibenzo(b,d)pyran-1-ol
CAS Number17766-02-8
PubChem CID134740
IUPAC Name(6aS,10aS)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-ol
Molecular FormulaC21H30O2
Molecular Weight314.5
XLogP7
Topological Polar Surface Area29.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Heavy Atom Count23
Formal Charge0
Complexity439
SMILES
CCCCCC1=CC(=C2[C@H]3C=C(CC[C@@H]3C(OC2=C1)(C)C)C)O
InChI
InChI=1S/C21H30O2/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15/h11-13,16-17,22H,5-10H2,1-4H3/t16-,17-/m0/s1
InChIKey
CYQFCXCEBYINGO-IRXDYDNUSA-N
Chemical Structure
2D Structure
2D structure of (6aS,10aS)-6a,7,8,10a-Tetrahydro-6,6,9-trimethyl-3-pentyl-6H-dibenzo(b,d)pyran-1-ol
CAS: 17766-02-8
CID: 134740
Formula: C21H30O2
MW: 314.5
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight314.5
XLogP37
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass314.224580195
Monoisotopic Mass314.224580195
Topological Polar Surface Area29.5 Ų
Heavy Atom Count23
Formal Charge0
Complexity439
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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