Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMPR0103530001
Common Name(+)-14,15-Epoxy-thapsan-14-ol
Systematic Name-
Synonyms-
Exact Mass
238.1933 (neutral)    Calculate m/z:
FormulaC15H26O2
CategoryPrenol Lipids [PR]
Main ClassIsoprenoids [PR01]
Sub ClassC15 isoprenoids (sesquiterpenes) [PR0103]
Class Level 4Thapsane and fukinane sesquiterpenoids [PR010353]
PubChem CID11379426
InChIKeyWYFUXAIEKPJVEH-JQPXUNLUSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C15H26O2/c1-13(2)6-5-7-14(3)8-10-9-17-12(16)11(10)15(13,14)4/h10-12,16H
,5-9H2,1-4H3/t10-,11-,12-,14+,15+/m0/s1
SMILESC1C[C@]2(C)C[C@H]3CO[C@H](O)[C@H]3[C@]2(C)C(C)(C)C1
StatusActive
ReferencesFraga, B. M. Natural sesquiterpenoids. Nat. Prod. Rep., 2003, 20, 392-413.
Calculated physicochemical properties (?):
 Heavy Atoms17Rings3Aromatic Rings0Rotatable Bonds0
 van der Waals
Molecular Volume
248.56Topological Polar
Surface Area
31.53Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP3.76Molar
Refractivity
68.40