Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMPR0104350003
Common Namefusicocca-2,10(14)-diene
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 4Fusicoccane diterpenoids [PR010435]
PubChem CID10659816
KEGG IDC18229
CHEBI ID52463
InChIKeyPZSFDLBSQBBRAM-GZRFBZBPSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C20H32/c1-13(2)16-10-11-20(5)12-18-15(4)6-8-17(18)14(3)7-9-19(16)20/h13-14,17H,6-12H2,1-5H3/t14-,17-,20+/m0/s1
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SMILES
C1[C@H](C)[C@]2([H])CCC(C)=C2C[C@]2(C)C(=C(C(C)C)CC2)C1
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms20Rings3Aromatic Rings0Rotatable Bonds1
 van der Waals
Molecular Volume
312.20Topological Polar
Surface Area
0.00Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
0
 logP6.29Molar
Refractivity
87.64