β-cholest-3-ene

β-cholest-3-ene
Compound Structure:
Synonyms: Cholest-3-ene #; Cholest-3-ene, (5.beta.)-
Compound ID: NMPC-1646
PubChem ID:

11824827
Molecular Formula: C27H46
Canonical SMILES: CC(C)CCCC(C)C1CCC2C1(CCC3C2CCC4C3(CCC=C4)C)C
InChIKey: SFBMPHLOQAKIBY-CJPSHIORSA-N
About the compound:
Properties:

Computed Properties

Property Name

Property Value

Molecular Weight

370.7 g/mol

XLogP3-AA

10.4

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

0

Rotatable Bond Count

5

Exact Mass

370.359951467 g/mol

Monoisotopic Mass

370.359951467 g/mol

Topological Polar Surface Area

0Ų

Heavy Atom Count

27

Formal Charge

0

Complexity

544

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: Cassia nigricans
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