Oxidoselina-1,3,7(11)-trien-8-one

Oxidoselina-1,3,7(11)-trien-8-one
Compound Structure:
Synonyms: (8aS)-3',3',5,8a-tetramethylspiro[4,4a-dihydro-1H-naphthalene-3,2'-oxirane]-2-one; Oxidoselina-1,3,7(11)-trien-8-one
Compound ID: NMPC-1367
PubChem ID:

91750195
Molecular Formula: C15H20O2
Canonical SMILES: CC1=CC=CC2(C1CC3(C(=O)C2)C(O3)(C)C)C
InChIKey: LGXDZGLEPFLCIY-XGTXGMFGSA-N
About the compound:
Properties:

Chemical and Physical Properties

Computed Properties

Property Name

Property Value

Molecular Weight

232.32 g/mol

XLogP3-AA

2.2

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

2

Rotatable Bond Count

0

Exact Mass

232.146329876 g/mol

Monoisotopic Mass

232.146329876 g/mol

Topological Polar Surface Area

29.6Ų

Heavy Atom Count

17

Formal Charge

0

Complexity

458

Isotope Atom Count

0

Defined Atom Stereocenter Count

1

Undefined Atom Stereocenter Count

2

Defined Bond Stereocenter Count

0

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

Source: PubChem                        
Source Species: Eugenia uniflora
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