Bauerenol

Bauerenol
Compound Structure:
Synonyms: Bauerenol;6466-94-0;Baurenol;D:C-Friedours-7-en-3-ol, (3beta)-;(3S,4aR,6aS,6bS,8aR,11R,12S,12aR,14aR,14bR)-4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,7,8,9,10,11,12,12a,13,14,14a-tetradecahydro-1H-picen-3-ol
Compound ID: NMPC-613
PubChem ID:

111220
Molecular Formula: C30H50O
Canonical SMILES: CC1CCC2(CCC3(C4=CCC5C(C(CCC5(C4CCC3(C2C1C)C)C)O)(C)C)C)C
InChIKey: TZVDWGXUGGUMCE-JVHXOXOBSA-N
About the compound:
Properties:

Chemical and Physical Properties

Computed Properties

Property Name

Property Value

Molecular Weight

426.7 g/mol

XLogP3-AA

9

Hydrogen Bond Donor Count

1

Hydrogen Bond Acceptor Count

1

Rotatable Bond Count

0

Exact Mass

426.386166214 g/mol

Monoisotopic Mass

426.386166214 g/mol

Topological Polar Surface Area

20.2Ų

Heavy Atom Count

31

Formal Charge

0

Complexity

779

Isotope Atom Count

0

Defined Atom Stereocenter Count

10

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: Eichhornia crassipes
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