Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMPR0104460001
Common Name17,18-Epoxy-8,10,13(15)-lobatriene
Systematic Name-
Synonyms-
Exact Mass
288.2453 (neutral)    Calculate m/z:
FormulaC20H32O
CategoryPrenol Lipids [PR]
Main ClassIsoprenoids [PR01]
Sub ClassC20 isoprenoids (diterpenes) [PR0104]
Class Level 4Lobane diterpenoids [PR010446]
PubChem CID42608262
InChIKeyPLMPUHCOGGTVIR-JZXJGBJOSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C20H32O/c1-8-20(7)12-11-16(13-17(20)14(2)3)15(4)9-10-18-19(5,6)21-18/h8-9,16-18H,1-2,10-13H2,3-7H3/b15-9+/t16-,17+,18+,20-/m0/s1
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SMILES
C=C[C@@]1(C)CC[C@]([H])(/C(/C)=C/C[C@H]2OC2(C)C)C[C@@H]1C(C)=C
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms21Rings2Aromatic Rings0Rotatable Bonds5
 van der Waals
Molecular Volume
330.71Topological Polar
Surface Area
12.53Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
1
 logP6.26Molar
Refractivity
92.30