Chlolest-4-en-3-one

Chlolest-4-en-3-one
Compound Structure:
Synonyms: 4-Cholesten-3-one;cholest-4-en-3-one;601-57-0;Cholestenone;3-Oxocholest-4-ene;3-Oxo-4-cholestene;(+)-4-Cholesten-3-one;delta(sup 4)-Cholestenone;3-Keto-4-cholestene;Cholestenone (delta 4);.delta.4-Cholesten-3-one;7T94NHD99C;4-Cholestenone;CHEBI:16175
Compound ID: NMPC-744
PubChem ID:

91477
Molecular Formula: C27H44O
Canonical SMILES: CC(C)CCCC(C)C1CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C
InChIKey: NYOXRYYXRWJDKP-GYKMGIIDSA-N
About the compound:

Cholest-4-en-3-one is a cholestanoid that is cholest-4-ene substituted by an oxo group at position 3. It has a role as a human metabolite and a plant metabolite. It is a cholestanoid and a 3-oxo-Delta(4) steroid.

GHS Hazard Statements

H413 (97.44%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

384.6 g/mol

XLogP3

8.4

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

1

Rotatable Bond Count

5

Exact Mass

384.339216023 g/mol

Monoisotopic Mass

384.339216023 g/mol

Topological Polar Surface Area

17.1Ų

Heavy Atom Count

28

Formal Charge

0

Complexity

630

Isotope Atom Count

0

Defined Atom Stereocenter Count

7

Undefined Atom Stereocenter Count

0

Defined Bond Stereocenter Count

0

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

Physical Description

Solid

Melting Point

79 - 82 °C

Source: PubChem

            
Source Species: Pennisetum purpureum
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