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CHEBI:223489 - 11beta-hydroxycolobetaolactone D

ChEBI IDCHEBI:223489
ChEBI Name11beta-hydroxycolobetaolactone D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H40O6
Net Charge0
Average Mass496.644
Monoisotopic Mass496.28249
SMILESCC1=CC[C@@H]([C@@H](C)[C@H]2C[C@@H](O)[C@@]3(C)C4=C(C=C5C=CC(=O)OC(C)(C)[C@@H]5CC4)[C@@H](O)C[C@]23C)OC1=O
InChIInChI=1S/C30H40O6/c1-16-7-11-24(35-27(16)34)17(2)22-14-25(32)30(6)21-10-9-20-18(8-12-26(33)36-28(20,3)4)13-19(21)23(31)15-29(22,30)5/h7-8,12-13,17,20,22-25,31-32H,9-11,14-15H2,1-6H3/t17-,20+,22+,23-,24-,25+,29+,30+/m0/s1
InChIKeyIWULFPXTAXSAEF-DONOBBAXSA-N
Species of MetaboliteComponentSourceComments
Tomophagusspecies (ncbitaxon:2782489) - PubMed (30983350)
ChEBI Ontology
Outgoing Relation(s)
11beta-hydroxycolobetaolactone D (CHEBI:223489) is a pyranone (CHEBI:37963)
IUPAC Name 
(9R,13R,14R,16R,17R,19S)-14,19-dihydroxy-8,8,13,17-tetramethyl-16-[(1S)-1-[(2S)-5-methyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-7-oxatetracyclo[10.7.0.03,9.013,17]nonadeca-1(12),2,4-trien-6-one
Manual XrefsDatabases
128439892ChemSpider