Urs-12-en-24-oic acid, 3-oxo-, methyl ester

Urs-12-en-24-oic acid, 3-oxo-, methyl ester
Compound Structure:
Synonyms: Urs-12-en-24-oic acid, 3-oxo-, methyl ester ; Methyl 3-oxours-12-en-23-oate #; Urs-12-en-24-oic acid, 3-oxo-, methyl ester, (+)-
Compound ID: NMPC-1585
PubChem ID:

612822
Molecular Formula: C31H48O3
Canonical SMILES: CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(=O)C5(C)C(=O)OC)C)C)C2C1C)C)C
InChIKey: DWWPSRGTSZHWME-UHFFFAOYSA-N
About the compound:
Properties:

Computed Properties

Property Name

Property Value

Molecular Weight

468.7 g/mol

XLogP3-AA

8.2

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

3

Rotatable Bond Count

2

Exact Mass

468.36034539 g/mol

Monoisotopic Mass

468.36034539 g/mol

Topological Polar Surface Area

43.4Ų

Heavy Atom Count

34

Formal Charge

0

Complexity

935

Isotope Atom Count

0

Defined Atom Stereocenter Count

0

Undefined Atom Stereocenter Count

10

Defined Bond Stereocenter Count

0

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

Source:PubChem
Source Species: Senna podocarpa
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