Taraxastero

Taraxastero
Compound Structure:
Synonyms: Taraxasterol ;Isolactucerol; 1059-14-9; anthesterin; Lactucerol
Compound ID: NMPC-1512
PubChem ID:

115250
Molecular Formula: C30H50O
Canonical SMILES: CC1C2C3CCC4C5(CCC(C(C5CCC4(C3(CCC2(CCC1=C)C)C)C)(C)C)O)C
InChIKey: XWMMEBCFHUKHEX-ZJJHUPNDSA-N
About the compound:

Taraxasterol is a pentacyclictriterpenoid that is taraxastane with a beta-hydroxy group at position 3. It has a role as a metabolite and an anti-inflammatory agent. It is a pentacyclictriterpenoid and a secondary alcohol. It derives from a hydride of a taraxastane.
Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

426.7 g/mol

XLogP3-AA

9.1

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

766

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: Deinbollia pinnata
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