Structure Database (LMSD)

H H O H H H
Common Name
5-campestenone
Systematic Name
Campest-5-en-3-one
Synonyms
LM ID
LMST01031022
Formula
C28H46O
Exact Mass
Calculate m/z
398.354865
Sum Composition
ST 28:2;O
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Sterol Lipids [ST]
Sterols [ST01]
Ergosterols and C24-methyl derivatives [ST0103]

String Representations

InChiKey (Click to copy)
ATIPVUGMJZAJPC-IMUDCKKOSA-N
InChi (Click to copy)
InChI=1S/C28H46O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h9,18-20,23-26H,7-8,10-17H2,1-6H3/t19-,20-,23+,24-,25+,26+,27+,28-/m1/s1
SMILES (Click to copy)
C1[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@]([H])(C)CC[C@@H](C)C(C)C)CC[C@@]4([H])[C@]3([H])CC=C2CC(=O)C1

References

Reference
Dietary 5-campestenone (campest-5-en-3-one) enhances fatty acid oxidation
in perfused rat liver.
Tamaru S, Suzuki Y, Sakono M, Fukuda N, Ikeda I, Konno R, Shimizu T, Suzuki K.
J Nutr Sci Vitaminol (Tokyo). 2006 Apr;52(2):127-33.

Other Databases

PubChem CID
11280982

Calculated Physicochemical Properties

Heavy Atoms 29
Rings 4
Aromatic Rings 0
Rotatable Bonds 5
Van der Waals Molecular Volume 447.03
Topological Polar Surface Area 17.07
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 7.84
Molar Refractivity 122.60

Admin

Created at
-
Updated at
-