Structure database (LMSD)

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LM IDLMPR0103280002
Common Name1β,10β-Epoxy-nardosinane
Systematic Name-
Synonyms-
Exact Mass
220.1827 (neutral)    Calculate m/z:
FormulaC15H24O
CategoryPrenol Lipids [PR]
Main ClassIsoprenoids [PR01]
Sub ClassC15 isoprenoids (sesquiterpenes) [PR0103]
Class Level 4Nardosinane sesquiterpenoids [PR010328]
PubChem CID42608149
InChIKeyLLQBOMCVABNZDR-XLWJZTARSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C15H24O/c1-10(2)12-6-5-9-15-13(16-15)8-7-11(3)14(12,15)4/h11-13H,1,5-9H2,2-4H3/t11-,12+,13-,14-,15-/m1/s1
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SMILES
C1[C@H]2O[C@@]32CCC[C@@H](C(=C)C)[C@@]3(C)[C@H](C)C1
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StatusActive
ReferencesFraga, B. M. Natural sesquiterpenoids. Nat. Prod. Rep., 2001, 18, 650-673.
Calculated physicochemical properties (?):
 Heavy Atoms16Rings3Aromatic Rings0Rotatable Bonds1
 van der Waals
Molecular Volume
237.13Topological Polar
Surface Area
12.53Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
1
 logP4.51Molar
Refractivity
67.29