Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMPR0103820001
Common NameDendrobane A
Systematic Name-
Synonyms-
Exact Mass
252.1725 (neutral)    Calculate m/z:
FormulaC15H24O3
CategoryPrenol Lipids [PR]
Main ClassIsoprenoids [PR01]
Sub ClassC15 isoprenoids (sesquiterpenes) [PR0103]
Class Level 4Copacamphane and sinularane sesquiterpenoids [PR010382]
PubChem CID42608199
InChIKeyJSKHHRWONMXCPX-ZYVQPCPRSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C15H24O3/c1-6(5-16)7-4-8(17)14(2)11-9(7)10-12(13(11)18)15(10,14)3/h6-13
,16-18H,4-5H2,1-3H3/t6?,7-,8+,9?,10?,11+,12?,13+,14-,15+/m0/s1
SMILESC12C3[C@H](O)[C@]4([H])[C@](C)([C@H](O)C[C@@H](C(CO)C)C14)[C@]23C
StatusActive
ReferencesFraga, B. M. Natural sesquiterpenoids. Nat. Prod. Rep., 2003, 20, 392-413.
Calculated physicochemical properties (?):
 Heavy Atoms18Rings5Aromatic Rings0Rotatable Bonds2
 van der Waals
Molecular Volume
241.19Topological Polar
Surface Area
60.69Hydrogen
Bond Donors
3Hydrogen
Bond Acceptors
3
 logP1.73Molar
Refractivity
68.06