Structure database (LMSD)

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LM IDLMFA12000007
Common Nametritriacontane-16,18-dione
Systematic Nametritriacontane-16,18-dione
SynonymsN-Tritriacontane-16,18-dione; Tritriacontane-16,18-dione
Exact Mass
492.4906 (neutral)    Calculate m/z:
FormulaC33H64O2
CategoryFatty Acyls [FA]
Main ClassOxygenated hydrocarbons [FA12]
Sub Class-
PubChem CID154874
KEGG IDC08394
CHEBI ID9752
InChIKeyBYKYTXUAKJDVPV-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C33H64O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-32(34)31-33(35)30-28-
26-24-22-20-18-16-14-12-10-8-6-4-2/h3-31H2,1-2H3
SMILESC(=O)(CCCCCCCCCCCCCCC)CC(=O)CCCCCCCCCCCCCCC
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms35Rings0Aromatic Rings0Rotatable Bonds30
 van der Waals
Molecular Volume
591.76Topological Polar
Surface Area
34.14Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
2
 logP11.48Molar
Refractivity
155.25