Structure database (LMSD)

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LM IDLMPR0104280001
Common NameVerrucosanene
Systematic Name-
Synonyms-
Exact Mass
272.2504 (neutral)    Calculate m/z:
FormulaC20H32
CategoryPrenol Lipids [PR]
Main ClassIsoprenoids [PR01]
Sub ClassC20 isoprenoids (diterpenes) [PR0104]
Class Level 4Verrucosane and modified verrucosane diterpenoids [PR010428]
PubChem CID42608240
InChIKeyUULKIKMWRORZDV-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C20H32/c1-13(2)15-6-7-18(3)8-9-19(4)10-14-11-20(14,5)12-16(19)17(15)18/h13-15H,6-12H2,1-5H3
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SMILES
C12(C)CC3=C4C(C(C)C)CCC4(C)CCC3(CC1C2)C
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms20Rings4Aromatic Rings0Rotatable Bonds1
 van der Waals
Molecular Volume
302.48Topological Polar
Surface Area
0.00Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
0
 logP5.98Molar
Refractivity
85.48