α-sitosterol acetate

α-sitosterol acetate
Compound Structure:
Synonyms: Stigmast-5-en-3-yl acetate; Sitosteryl acetate Acetyl-beta-sitosterol; beta-Sitosterol 3-acetate Sitosterol,.beta., acetate
Compound ID: NMPC-1636
PubChem ID:

521199
Molecular Formula: C31H52O2
Canonical SMILES: CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)C)C)C)C(C)C
InChIKey: PBWOIPCULUXTNY-UHFFFAOYSA-N
About the compound:
Properties:


Property Name

Property Value

Molecular Weight

456.7 g/mol

XLogP3-AA

9.9

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

2

Rotatable Bond Count

8

Exact Mass

456.396730897 g/mol

Monoisotopic Mass

456.396730897 g/mol

Topological Polar Surface Area

26.3Ų

Heavy Atom Count

33

Formal Charge

0

Complexity

737

Isotope Atom Count

0

Defined Atom Stereocenter Count

0

Undefined Atom Stereocenter Count

9

Defined Bond Stereocenter Count

0

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

Physical Description

Solid

Melting Point

134 °C

Source:PubChem
Source Species: Cassia nigricans
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