trans-b-Elemenone

trans-b-Elemenone
Compound Structure:
Synonyms: beta-Elemenone ;I(2)-Elemenone ;trans-.beta.-Elemenone; (4S)-trans-beta-Elemenone ;2BH58WTU7X
Compound ID: NMPC-1548
PubChem ID:

10955018
Molecular Formula: C15H22O
Canonical SMILES: CC(=C1CC(C(CC1=O)(C)C=C)C(=C)C)C
InChIKey: ABLPGPHZENVRRH-DZGCQCFKSA-N
About the compound:
Properties:

Computed Properties

Property Name

Property Value

Molecular Weight

218.33 g/mol

XLogP3-AA

4.4

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

1

Rotatable Bond Count

2

Exact Mass

218.167065321 g/mol

Monoisotopic Mass

218.167065321 g/mol

Topological Polar Surface Area

17.1Ų

Heavy Atom Count

16

Formal Charge

0

Complexity

369

Isotope Atom Count

0

Defined Atom Stereocenter Count

2

Undefined Atom Stereocenter Count

0

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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