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CHEBI:52485 - isopimara-7,15-dienal

Default Structure
ChEBI IDCHEBI:52485
ChEBI Nameisopimara-7,15-dienal
Stars
Last Modified13 November 2017
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC20H30O
Net Charge0
Average Mass286.459
Monoisotopic Mass286.22967
SMILES[H]C(=O)[C@]1(C)CCC[C@@]2(C)[C@@]1([H])CC=C1C[C@@](C)(C=C)CC[C@@]12[H]
InChIInChI=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
InChIKeyNLLZQKHFTCHPED-VYJAJWGXSA-N
ChEBI Ontology
Outgoing Relation(s)
isopimara-7,15-dienal (CHEBI:52485) has parent hydride isopimara-7,15-diene (CHEBI:52280)
isopimara-7,15-dienal (CHEBI:52485) is a carbotricyclic compound (CHEBI:38032)
isopimara-7,15-dienal (CHEBI:52485) is a diterpenoid (CHEBI:23849)
IUPAC Name 
(13S)-pimara-7,15-dien-18-al
Synonyms  Source
(1R,4aR,4bS,7S)-7-ethenyl-1,4a,7-trimethyl-3,4,4b,5,6,8,10,10a-octahydro-2H-phenanthrene-1-carbaldehydeChEBI
isopimaralChEBI
isopimarinalChEBI
UniProt Name  Source
isopimara-7,15-dienalUniProt
Manual XrefsDatabases
C18222KEGG COMPOUND
Registry NumbersSources
Beilstein:2143815Beilstein