Structure database (LMSD)

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LM IDLMPR0104310002
Common NameIngol (W)
Systematic Name-
Synonyms-
Exact Mass
366.2042 (neutral)    Calculate m/z:
FormulaC20H30O6
CategoryPrenol Lipids [PR]
Main ClassIsoprenoids [PR01]
Sub ClassC20 isoprenoids (diterpenes) [PR0104]
Class Level 4Lathyrane diterpenoids [PR010431]
PubChem CID42608245
InChIKeyMXSMLDVUIRKKID-NZODWMOFSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C20H30O6/c1-8-6-19-16(24)9(2)7-20(19,26-19)17(25)10(3)14(22)11-12(18(11,4)5)15(23)13(8)21/h6,9-16,21-24H,7H2,1-5H3/b8-6+/t9-,10+,11?,12?,13+,14-,15-,16-,19-,20-/m0/s1
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SMILES
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms26Rings4Aromatic Rings0Rotatable Bonds0
 van der Waals
Molecular Volume
352.58Topological Polar
Surface Area
110.52Hydrogen
Bond Donors
4Hydrogen
Bond Acceptors
6
 logP2.13Molar
Refractivity
96.12