Taraxerol

Compound Structure:

Synonyms:

Taraxerol ;127-22-0 ;alnulin ;skimmiol ;tiliadin

Compound ID:

NMPC-1514

PubChem ID:

92097

Molecular Formula:

C30H50O

Canonical SMILES:

CC1(CCC2(CC=C3C4(CCC5C(C(CCC5(C4CCC3(C2C1)C)C)O)(C)C)C)C)C

InChIKey:

GGGUGZHBAOMSFJ-GADYQYKKSA-N

About the compound:

Taraxerol is a pentacyclictriterpenoid that is oleanan-3-ol lacking the methyl group at position 14, with an alpha-methyl substituent at position 13 and a double bond between positions 14 and 15. It has a role as a metabolite. It is a pentacyclictriterpenoid and a secondary alcohol.

Properties:

Chemical and Physical Properties

Computed Properties

Property Name	Property Value
Molecular Weight	426.7 g/mol
XLogP3-AA	9.3
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	20.2Å²
Heavy Atom Count	31
Formal Charge	0
Complexity	790
Isotope Atom Count	0
Defined Atom Stereocenter Count	8
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:

Laggera pterodonta

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