3β-acetoxycholest-8-ene

3β-acetoxycholest-8-ene
Compound Structure:
Synonyms: 3-acetoxycholest-8-ene
Compound ID: NMPC-381
PubChem ID:

22212597
Molecular Formula: C29H48O2
Canonical SMILES: CC(C)CCCC(C)C1CCC2C1(CCC3=C2CCC4C3(CCC(C4)OC(=O)C)C)C
InChIKey: VDLGFFVBSBOWKP-SRJFWYMSSA-N
About the compound:
Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

428.7 g/mol

XLogP3-AA

8.6

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

706

Isotope Atom Count

0

Defined Atom Stereocenter Count

5

Undefined Atom Stereocenter Count

2

Defined Bond Stereocenter Count

0

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

Source: PubChem

                                                         
Source Species: Vernonia blumeoides
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