alepterolic acid

alepterolic acid
Compound Structure:
Synonyms: Alepterolic acid;63399-38-2;(E)-5-[(1S,4aR,6S,8aR)-6-hydroxy-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpent-2-enoic acid;DTXSID601019953;FS-8905;2-Pentenoic acid, 5-(decahydro-6-hydroxy-5,5,8a-trimethyl-2-methylene-
Compound ID: NMPC-565
PubChem ID:

13858188
Molecular Formula: C20H32O3
Canonical SMILES: CC(=CC(=O)O)CCC1C(=C)CCC2C1(CCC(C2(C)C)O)C
InChIKey: LNWOKEZJIRLIDO-ZJGHDVHGSA-N
About the compound:
Properties:

Chemical and Physical Properties

Computed Properties

Property Name

Property Value

Molecular Weight

320.5 g/mol

XLogP3-AA

4.7

Hydrogen Bond Donor Count

2

Hydrogen Bond Acceptor Count

3

Rotatable Bond Count

4

Exact Mass

320.23514488 g/mol

Monoisotopic Mass

320.23514488 g/mol

Topological Polar Surface Area

57.5Ų

Heavy Atom Count

23

Formal Charge

0

Complexity

517

Isotope Atom Count

0

Defined Atom Stereocenter Count

4

Undefined Atom Stereocenter Count

0

Defined Bond Stereocenter Count

1

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

Source: PubChem                                                         
Source Species: Ficus thonningii
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