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Hinokiol

CAT: 0926-AAA56473-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0926-AAA56473-02Size:10 mg
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CAS Number
564-73-8
MDL Number
MFCD20260806
Smiles
CC (C) C1=C (C=C2C (=C1) CCC3C2 (CCC (C3 (C) C) O) C) O
Molecular Formula
C20H30O2
Molecular Weight
302.5 g/mol
Controlled
No

Chemical Information

Hinokiol

(2S,4aS,10aR)-7-isopropyl-1,1,4a-trimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-2,6-diol has been reported in Elsholtzia bodinieri, Taxus cuspidata, and other organisms with data available.

CAS Number564-73-8
PubChem CID12310492
IUPAC Name(2S,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-CMKODMSKSA-N
Chemical Structure
2D Structure
2D structure of Hinokiol
CAS: 564-73-8
CID: 12310492
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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