anticopalic acid (Copaiferic acid)

anticopalic acid (Copaiferic acid)
Compound Structure:
Synonyms: Anticopalic acid;Copaiferic acid B;(+)-Copaiferic acid;Copaiferic acid, (+)-;Labda-8(20),13-dien-15-oic acid, (E)-(+)-;(2E)-5-(5,5,8a-Trimethyl-2-methylenedecahydro-1-naphthalenyl)-3-methyl-2-pentenoic acid
Compound ID: NMPC-587
PubChem ID:

5367608
Molecular Formula: C20H32O2
Canonical SMILES: CC(=CC(=O)O)CCC1C(=C)CCC2C1(CCCC2(C)C)C
InChIKey: JFQBNOIJWROZGE-BUHFOSPRSA-N
About the compound:
Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

304.5 g/mol

XLogP3-AA

6.3

Hydrogen Bond Donor Count

1

Hydrogen Bond Acceptor Count

2

Rotatable Bond Count

4

Exact Mass

304.240230259 g/mol

Monoisotopic Mass

304.240230259 g/mol

Topological Polar Surface Area

37.3Ų

Heavy Atom Count

22

Formal Charge

0

Complexity

486

Isotope Atom Count

0

Defined Atom Stereocenter Count

0

Undefined Atom Stereocenter Count

3

Defined Bond Stereocenter Count

1

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

Source: PubChem                                                                                             
Source Species: Nicotiana tabacum
Ficus thonningii
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