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HU 211

CAT: 0926-MEA92445-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0926-MEA92445-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
112924-45-5
MDL Number
MFCD00887769
Smiles
CCCCCCC (C) (C) C1=CC (=C2[C@H]3CC (=CC[C@@H]3C (OC2=C1) (C) C) CO) O
Molecular Formula
C25H38O3
Molecular Weight
386.57 g/mol
Controlled
Yes

Chemical Information

Dexanabinol

Dexanabinol is a 1-benzopyran.

CAS Number112924-45-5
PubChem CID107778
IUPAC Name(6aS,10aS)-9-(hydroxymethyl)-6,6-dimethyl-3-(2-methyloctan-2-yl)-6a,7,10,10a-tetrahydrobenzo[c]chromen-1-ol
Molecular FormulaC25H38O3
Molecular Weight386.6
XLogP6.4
Topological Polar Surface Area49.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count7
Heavy Atom Count28
Formal Charge0
Complexity550
SMILES
CCCCCCC(C)(C)C1=CC(=C2[C@H]3CC(=CC[C@@H]3C(OC2=C1)(C)C)CO)O
InChI
InChI=1S/C25H38O3/c1-6-7-8-9-12-24(2,3)18-14-21(27)23-19-13-17(16-26)10-11-20(19)25(4,5)28-22(23)15-18/h10,14-15,19-20,26-27H,6-9,11-13,16H2,1-5H3/t19-,20-/m0/s1
InChIKey
SSQJFGMEZBFMNV-PMACEKPBSA-N
Chemical Structure
2D Structure
2D structure of Dexanabinol
CAS: 112924-45-5
CID: 107778
Formula: C25H38O3
MW: 386.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight386.6
XLogP36.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count7
Exact Mass386.28209507
Monoisotopic Mass386.28209507
Topological Polar Surface Area49.7 Ų
Heavy Atom Count28
Formal Charge0
Complexity550
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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