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3alpha-Hinokiol

CAT: 1410-M39277-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:1410-M39277-02Size:5 mg
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Description
3alpha-Hinokiol
CAS Number
107740-34-1
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
302.5
Molecular Formula
C20H30O2
Notes
Research use only, not for human use.
Receptor
Other Targets

Chemical Information

3alpha-Hinokiol

(2R,4aS,10aR)-7-isopropyl-1,1,4a-trimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-2,6-diol has been reported in Chamaecyparis formosensis, Isodon lophanthoides, and Isodon lophanthoides var. gerardianus with data available.

CAS Number107740-34-1
PubChem CID10913694
IUPAC Name(2R,4aS,10aR)-1,1,4a-trimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-2,6-diol
Molecular FormulaC20H30O2
Molecular Weight302.5
XLogP5.2
Topological Polar Surface Area40.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count22
Formal Charge0
Complexity416
SMILES
CC(C)C1=C(C=C2C(=C1)CC[C@@H]3[C@@]2(CC[C@H](C3(C)C)O)C)O
InChI
InChI=1S/C20H30O2/c1-12(2)14-10-13-6-7-17-19(3,4)18(22)8-9-20(17,5)15(13)11-16(14)21/h10-12,17-18,21-22H,6-9H2,1-5H3/t17-,18+,20+/m0/s1
InChIKey
ODFCWXVQZAQDSO-NLWGTHIKSA-N
Chemical Structure
2D Structure
2D structure of 3alpha-Hinokiol
CAS: 107740-34-1
CID: 10913694
Formula: C20H30O2
MW: 302.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight302.5
XLogP35.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass302.224580195
Monoisotopic Mass302.224580195
Topological Polar Surface Area40.5 Ų
Heavy Atom Count22
Formal Charge0
Complexity416
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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