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CHEBI:67417 - cryptocaryol B

Default Structure
ChEBI IDCHEBI:67417
ChEBI Namecryptocaryol B
Stars
DefinitionA member of the class of 2-pyranones that is 5,6-dihydro-2H-pyran-2-one substituted by a 10-(acetyloxy)-2,4,6,8-tetrahydroxypentacosyl group at position 6.It has been isolated from Cryptocarya species.
Last Modified9 January 2014
DownloadsMolfile
FormulaC32H58O8
Net Charge0
Average Mass570.808
Monoisotopic Mass570.41317
SMILESCCCCCCCCCCCCCCC[C@@H](C[C@@H](O)C[C@@H](O)C[C@@H](O)C[C@@H](O)C[C@H]1CC=CC(=O)O1)OC(C)=O
InChIInChI=1S/C32H58O8/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-17-30(39-25(2)33)23-28(36)21-26(34)20-27(35)22-29(37)24-31-18-16-19-32(38)40-31/h16,19,26-31,34-37H,3-15,17-18,20-24H2,1-2H3/t26-,27+,28-,29+,30-,31+/m0/s1
InChIKeyJUDSGWKIMNPKNH-XSFYONRBSA-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 Role:
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 B (CHEBI:67417) has role plant metabolite (CHEBI:76924)
cryptocaryol B (CHEBI:67417) is a 2-pyranones (CHEBI:75885)
cryptocaryol B (CHEBI:67417) is a acetate ester (CHEBI:47622)
cryptocaryol B (CHEBI:67417) is a tetrol (CHEBI:33573)
IUPAC Name 
(2R,4R,6S,8S,10S)-2,4,6,8-tetrahydroxy-1-[(2R)-6-oxo-3,6-dihydro-2H-pyran-2-yl]pentacosan-10-yl acetate
Registry NumbersSources
Reaxys:23730162Reaxys
Citations