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6-Hydroxysugiol

CAT: 0926-FCA89807-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0926-FCA89807-02Size:10 mg
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CAS Number
55898-07-2
Smiles
CCSC1=CC=C (C=C1) C2=CC (=CC=C2) F
Molecular Formula
C20H28O3
Molecular Weight
316.40 g/mol
Controlled
No

Chemical Information

6,10-dihydroxy-1,1,4a-trimethyl-7-propan-2-yl-3,4,10,10a-tetrahydro-2H-phenanthren-9-one

6,10-dihydroxy-1,1,4a-trimethyl-7-propan-2-yl-3,4,10,10a-tetrahydro-2H-phenanthren-9-one has been reported in Calocedrus formosana with data available.

CAS Number55898-07-2
PubChem CID73095180
IUPAC Name6,10-dihydroxy-1,1,4a-trimethyl-7-propan-2-yl-3,4,10,10a-tetrahydro-2H-phenanthren-9-one
Molecular FormulaC20H28O3
Molecular Weight316.4
XLogP5.1
Topological Polar Surface Area57.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count23
Formal Charge0
Complexity483
SMILES
CC(C)C1=C(C=C2C(=C1)C(=O)C(C3C2(CCCC3(C)C)C)O)O
InChI
InChI=1S/C20H28O3/c1-11(2)12-9-13-14(10-15(12)21)20(5)8-6-7-19(3,4)18(20)17(23)16(13)22/h9-11,17-18,21,23H,6-8H2,1-5H3
InChIKey
VQGOEQIXFUUUQP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6,10-dihydroxy-1,1,4a-trimethyl-7-propan-2-yl-3,4,10,10a-tetrahydro-2H-phenanthren-9-one
CAS: 55898-07-2
CID: 73095180
Formula: C20H28O3
MW: 316.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight316.4
XLogP35.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass316.20384475
Monoisotopic Mass316.20384475
Topological Polar Surface Area57.5 Ų
Heavy Atom Count23
Formal Charge0
Complexity483
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count3
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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