taraxasterol acetate

taraxasterol acetate
Compound Structure:
Synonyms: Taraxasterol acetate ;6426-43-3 ;Taraxasteryl acetate ;CHEBI:67438; 9F07Z33516
Compound ID: NMPC-1513
PubChem ID:

13889352
Molecular Formula: C32H52O2
Canonical SMILES: CC1C2C3CCC4C5(CCC(C(C5CCC4(C3(CCC2(CCC1=C)C)C)C)(C)C)OC(=O)C)C
InChIKey: SFEUTIOWNUGQMZ-ZHLOSDGBSA-N
About the compound:
Properties:

Computed Properties

Property Name

Property Value

Molecular Weight

468.8 g/mol

XLogP3-AA

9.7

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

2

Rotatable Bond Count

2

Exact Mass

468.396730897 g/mol

Monoisotopic Mass

468.396730897 g/mol

Topological Polar Surface Area

26.3Ų

Heavy Atom Count

34

Formal Charge

0

Complexity

872

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: Laggera pterodonta
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