Structure database (LMSD)

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LM IDLMPR0103500006
Common Name5-(1-hydroxybutan-2-yl)isolongifol-4-ene
Systematic Name-
Synonyms2-(2,2,7,7-tetramethyltricyclo[6.2.1.0(1,6)]undec-4-en-5-yl)butan-1-ol
Exact Mass
276.2453 (neutral)    Calculate m/z:
FormulaC19H32O
CategoryPrenol Lipids [PR]
Main ClassIsoprenoids [PR01]
Sub ClassC15 isoprenoids (sesquiterpenes) [PR0103]
Class Level 4Longifolane sesquiterpenoids [PR010350]
PubChem CID24755576
CHEBI ID48324
InChIKeyDJQHGOGCJXFILM-UOQGFUMSSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C19H32O/c1-6-13(12-20)15-8-9-17(2,3)19-10-7-14(11-19)18(4,5)16(15)19/h8
,13-14,16,20H,6-7,9-12H2,1-5H3/t13?,14-,16?,19-/m0/s1
SMILESC1C[C@]23C[C@H]1C(C)(C)C2C(C(CC)CO)=CCC3(C)C
MS Spectra-     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms20Rings3Aromatic Rings0Rotatable Bonds3
 van der Waals
Molecular Volume
306.33Topological Polar
Surface Area
20.23Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
1
 logP5.09Molar
Refractivity
84.88