Taraxerone

Taraxerone
Compound Structure:
Synonyms: Taraxerone; 514-07-8; D-Friedoolean-14-en-3-one ;Taraxeron
Compound ID: NMPC-1515
PubChem ID:

92785
Molecular Formula: C30H48O
Canonical SMILES: CC1(CCC2(CC=C3C4(CCC5C(C(=O)CCC5(C4CCC3(C2C1)C)C)(C)C)C)C)C
InChIKey: DBCAVZSSFGIHQZ-YLAYQGCQSA-N
About the compound:
Properties:

Computed Properties

Property Name

Property Value

Molecular Weight

424.7 g/mol

XLogP3-AA

9

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

1

Rotatable Bond Count

0

Exact Mass

424.370516150 g/mol

Monoisotopic Mass

424.370516150 g/mol

Topological Polar Surface Area

17.1Ų

Heavy Atom Count

31

Formal Charge

0

Complexity

831

Isotope Atom Count

0

Defined Atom Stereocenter Count

7

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: Laggera pterodonta
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