Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMPR0103880001
Common Name3-Gymnomitrene
Systematic Name-
Synonyms-
Exact Mass
204.1878 (neutral)    Calculate m/z:
FormulaC15H24
CategoryPrenol Lipids [PR]
Main ClassIsoprenoids [PR01]
Sub ClassC15 isoprenoids (sesquiterpenes) [PR0103]
Class Level 4Gymnomitrane sesquiterpenoids [PR010388]
PubChem CID42608205
InChIKeyRMKQBFUAKZOVPQ-KBXIAJHMSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C15H24/c1-11-6-9-13(2)10-12(11)14(3)7-5-8-15(13,14)4/h6,12H,5,7-10H2,1-
4H3/t12-,13-,14+,15+/m1/s1
SMILESC1C=C(C)[C@@H]2[C@]3(C)CCC[C@@]3(C)[C@@]1(C)C2
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms15Rings3Aromatic Rings0Rotatable Bonds0
 van der Waals
Molecular Volume
228.34Topological Polar
Surface Area
0.00Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
0
 logP4.56Molar
Refractivity
64.65