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CHEBI:204049 - Palmitoyl velutinal

ChEBI IDCHEBI:204049
ChEBI NamePalmitoyl velutinal
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H52O4
Net Charge0
Average Mass488.753
Monoisotopic Mass488.38656
SMILESCCCCCCCCCCCCCCCC(=O)O[C@H]1OC[C@]23O[C@H]2[C@@H]2CC(C)(C)C[C@@H]2[C@@]2(C)C[C@@]132
InChIInChI=1S/C31H52O4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-25(32)34-27-30-21-29(30,4)24-20-28(2,3)19-23(24)26-31(30,35-26)22-33-27/h23-24,26-27H,5-22H2,1-4H3/t23-,24+,26+,27-,29-,30+,31+/m1/s1
InChIKeyDDEWTUXXHCPJQF-USPSUOOISA-N
Species of MetaboliteComponentSourceComments
Russula cuprea (ncbitaxon:176790) - DOI (10.1016/s0031-9422(97)00259-8)
ChEBI Ontology
Outgoing Relation(s)
Palmitoyl velutinal (CHEBI:204049) is a diterpenoid (CHEBI:23849)
IUPAC Name 
[(1S,3S,4R,8S,9R,11S,12R)-6,6,9-trimethyl-2,13-dioxapentacyclo[9.3.0.01,3.04,8.09,11]tetradecan-12-yl] hexadecanoate
Manual XrefsDatabases
78437088ChemSpider