Structure database (LMSD)

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LM IDLMPR0104020002
Common NameAxerophthene
Systematic Name-
Synonyms-
Exact Mass
270.2348 (neutral)    Calculate m/z:
FormulaC20H30
CategoryPrenol Lipids [PR]
Main ClassIsoprenoids [PR01]
Sub ClassC20 isoprenoids (diterpenes) [PR0104]
Class Level 4Prenylbisabolane and cyclophytane diterpenoids [PR010402]
PubChem CID5287722
InChIKeyIDMGVRDNZFQORW-JWBAUCAFSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C20H30/c1-7-16(2)10-8-11-17(3)13-14-19-18(4)12-9-15-20(19,5)6/h7-8,10-11,13-14H,9,12,15H2,1-6H3/b10-8+,14-13+,16-7+,17-11+
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SMILES
C1C(C)(C)C(/C=C/C(/C)=C/C=C/C(/C)=C/C)=C(C)CC1
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms20Rings1Aromatic Rings0Rotatable Bonds4
 van der Waals
Molecular Volume
329.00Topological Polar
Surface Area
0.00Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
0
 logP6.54Molar
Refractivity
91.80