Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMPR0104080004
Common Nameent-pimara-8(14),15-diene
Systematic Name5β,9β,10α,13α-pimara-8(14),15-diene
Synonyms-
Exact Mass
272.2504 (neutral)    Calculate m/z:
FormulaC20H32
CategoryPrenol Lipids [PR]
Main ClassIsoprenoids [PR01]
Sub ClassC20 isoprenoids (diterpenes) [PR0104]
Class Level 4Pimarane diterpenoids [PR010408]
PubChem CID12314280
KEGG IDC18228
CHEBI ID50063
InChIKeyXDSYKASBVOZOAG-JYBIWHBTSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C20H32/c1-6-19(4)13-10-16-15(14-19)8-9-17-18(2,3)11-7-12-20(16,17)5/h6,14,16-17H,1,7-13H2,2-5H3/t16-,17-,19+,20+/m1/s1
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SMILES
[C@]12(C(C)(C)CCC[C@]1([C@]1([H])CC[C@](C)(C=C)C=C1CC2)C)[H]
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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
 logP6.14Molar
Refractivity
87.57