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CHEBI:67419 - cryptocaryol D

ChEBI IDCHEBI:67419
ChEBI Namecryptocaryol D
Stars
DefinitionA member of the class of 2-pyranones that is 5,6-dihydro-2H-pyran-2-one substituted by a hydroxy group at position 5 and a 10-(acetyloxy)-2,4,6,8-tetrahydroxypentacosyl group at position 6.It has been isolated from Cryptocarya species
Last Modified4 December 2013
DownloadsMolfile
FormulaC32H58O9
Net Charge0
Average Mass586.807
Monoisotopic Mass586.40808
SMILESCCCCCCCCCCCCCCC[C@H](C[C@H](O)C[C@H](O)C[C@H](O)C[C@H](O)C[C@@H]1OC(=O)C=C[C@@H]1O)OC(C)=O
InChIInChI=1S/C32H58O9/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-29(40-24(2)33)22-27(36)20-25(34)19-26(35)21-28(37)23-31-30(38)17-18-32(39)41-31/h17-18,25-31,34-38H,3-16,19-23H2,1-2H3/t25-,26+,27-,28+,29-,30+,31+/m1/s1
InChIKeyQTODHKJVJUSIHI-YEWNYCFTSA-N
Species of MetaboliteComponentSourceComments
Cryptocarya (ncbitaxon:22027) - PubMed (21539301) CH2Cl2-MeOH(1:1) and 100% MeOH extract of dried and ground plant material
Roles Classification
Biological Roles:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
cryptocaryol D (CHEBI:67419) has role metabolite (CHEBI:25212)
cryptocaryol D (CHEBI:67419) has role plant metabolite (CHEBI:76924)
cryptocaryol D (CHEBI:67419) is a 2-pyranones (CHEBI:75885)
cryptocaryol D (CHEBI:67419) is a acetate ester (CHEBI:47622)
cryptocaryol D (CHEBI:67419) is a pentol (CHEBI:37205)
IUPAC Name 
(2S*,4S*,6R*,8R*,10R*)-2,4,6,8-tetrahydroxy-1-[(2S,3S)-3-hydroxy-6-oxo-3,6-dihydro-2H-pyran-2-yl]pentacosan-10-yl acetate
Registry NumbersSources
Reaxys:21548650Reaxys
Citations