Structure database (LMSD)

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LM IDLMPR0104080009
Common Nameisopimara-7,15-dienal
Systematic Name(13S)-pimara-7,15-dien-18-al
Synonyms(1R,4aR,4bS,7S)-7-ethenyl-1,4a,7-trimethyl-3,4,4b,5,6,8,10,10a-octahydro-2H-
phenanthrene-1-carbaldehyde; isopimaral; isopimarinal
Exact Mass
286.2297 (neutral)    Calculate m/z:
FormulaC20H30O
CategoryPrenol Lipids [PR]
Main ClassIsoprenoids [PR01]
Sub ClassC20 isoprenoids (diterpenes) [PR0104]
Class Level 4Pimarane diterpenoids [PR010408]
PubChem CID12311183
KEGG IDC18222
CHEBI ID52485
InChIKeyNLLZQKHFTCHPED-VYJAJWGXSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C20H30O/c1-5-18(2)12-9-16-15(13-18)7-8-17-19(3,14-21)10-6-11-20(16,17)4/h5,7,14,16-17H,1,6,8-13H2,2-4H3/t16-,17-,18-,19-,20+/m0/s1
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SMILES
C1[C@@]2(C)[C@@]([H])(CC=C3[C@]2([H])CC[C@](C)(C=C)C3)[C@@](C=O)(C)CC1
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms21Rings3Aromatic Rings0Rotatable Bonds2
 van der Waals
Molecular Volume
318.35Topological Polar
Surface Area
17.07Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
1
 logP5.32Molar
Refractivity
87.96