Structure database (LMSD)

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LM IDLMPR0105010002
Common NameC25:2 6,7-Epoxy highly branched isoprenoid
Systematic Name2,6,14-trimethyl-6,7-epoxy-10-methylene-9-(3-methylpent-4-enyl)-pentadecane
Synonyms-
Exact Mass
362.3549 (neutral)    Calculate m/z:
FormulaC25H46O
CategoryPrenol Lipids [PR]
Main ClassIsoprenoids [PR01]
Sub ClassC25 isoprenoids (sesterterpenes) [PR0105]
Class Level 4Acyclic sesterterpenoids [PR010501]
PubChem CID42608271
InChIKeyYOCDPWQZFQLBCY-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C25H46O/c1-9-21(6)15-16-23(22(7)14-10-12-19(2)3)18-24-25(8,26-24)17-11-
13-20(4)5/h9,19-21,23-24H,1,7,10-18H2,2-6,8H3
SMILESCC(CCCC(=C)C(CCC(C)C=C)CC1OC1(CCCC(C)C)C)C
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms26Rings1Aromatic Rings0Rotatable Bonds15
 van der Waals
Molecular Volume
432.21Topological Polar
Surface Area
12.53Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
1
 logP8.53Molar
Refractivity
117.52