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15-Hydroxyferruginol

CAT: 0926-BDA23593-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0926-BDA23593-01Size:10 mg
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CAS Number
76235-93-3
Smiles
C1CN (CC1N) CC2=CC (=C (C=C2) Cl) Cl.Cl.Cl
Molecular Formula
C20H30O2
Molecular Weight
302.50 g/mol
Controlled
No

Chemical Information

15-Hydroxyferruginol

15-Hydroxyferruginol has been reported in Chamaecyparis pisifera with data available.

CAS Number76235-93-3
PubChem CID24770303
IUPAC Name(4bS,8aS)-2-(2-hydroxypropan-2-yl)-4b,8,8-trimethyl-5,6,7,8a,9,10-hexahydrophenanthren-3-ol
Molecular FormulaC20H30O2
Molecular Weight302.5
XLogP5.8
Topological Polar Surface Area40.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count22
Formal Charge0
Complexity427
SMILES
C[C@]12CCCC([C@@H]1CCC3=CC(=C(C=C23)O)C(C)(C)O)(C)C
InChI
InChI=1S/C20H30O2/c1-18(2)9-6-10-20(5)14-12-16(21)15(19(3,4)22)11-13(14)7-8-17(18)20/h11-12,17,21-22H,6-10H2,1-5H3/t17-,20+/m0/s1
InChIKey
QGCYTPYLLIAKGA-FXAWDEMLSA-N
Chemical Structure
2D Structure
2D structure of 15-Hydroxyferruginol
CAS: 76235-93-3
CID: 24770303
Formula: C20H30O2
MW: 302.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight302.5
XLogP35.8
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
Complexity427
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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