Structure database (LMSD)

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LM IDLMPR0103500013
Common Name4,5-(methanoxy-2-methylethano)isolongifol-4-ene
Systematic Name(1S,12S)-2,2,8,11,11-pentamethyl-6-oxatetracyclo[10.2.1.0(1,10).0(4,9)
]pentadec-4(9)-ene
Synonyms2,2,8,11,11-pentamethyl-6-oxatetracyclo[10.2.1.0(1,10).0(4,9)]pentadec-4(9)-ene
Exact Mass
274.2297 (neutral)    Calculate m/z:
FormulaC19H30O
CategoryPrenol Lipids [PR]
Main ClassIsoprenoids [PR01]
Sub ClassC15 isoprenoids (sesquiterpenes) [PR0103]
Class Level 4Longifolane sesquiterpenoids [PR010350]
PubChem CID24755568
CHEBI ID48331
InChIKeyWORODHPCRUJQIA-UJZFSRJTSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C19H30O/c1-12-10-20-11-13-8-17(2,3)19-7-6-14(9-19)18(4,5)16(19)15(12)13
/h12,14,16H,6-11H2,1-5H3/t12?,14-,16?,19-/m0/s1
SMILESC1C[C@]23C[C@H]1C(C)(C)C2C1C(C)COCC=1CC3(C)C
MS Spectra-     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms20Rings4Aromatic Rings0Rotatable Bonds0
 van der Waals
Molecular Volume
293.97Topological Polar
Surface Area
11.30Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
1
 logP5.39Molar
Refractivity
83.43