Cholest-5-en-3-ol (3β)-, acetate

Cholest-5-en-3-ol (3β)-, acetate
Compound Structure:
Synonyms: (3alpha)-cholest-5-en-3-yl acetate
Compound ID: NMPC-750
PubChem ID:

45044256
Molecular Formula: C29H48O2
Canonical SMILES: CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)C)C)C
InChIKey: XUGISPSHIFXEHZ-WOOIZHOCSA-N
About the compound:
Properties:

Chemical and Physical Properties

Computed Properties

Property Name

Property Value

Molecular Weight

428.7 g/mol

XLogP3-AA

9.1

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

2

Rotatable Bond Count

7

Exact Mass

428.365430770 g/mol

Monoisotopic Mass

428.365430770 g/mol

Topological Polar Surface Area

26.3Ų

Heavy Atom Count

31

Formal Charge

0

Complexity

693

Isotope Atom Count

0

Defined Atom Stereocenter Count

1

Undefined Atom Stereocenter Count

7

Defined Bond Stereocenter Count

0

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

Source: PubChem                                                                                             
Source Species: Vernonia amygdalina
Zanthoxylum zanthoxyloides
Download SDF