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CHEBI:207524 - Pentacecilide C

ChEBI IDCHEBI:207524
ChEBI NamePentacecilide C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC27H34O7
Net Charge0
Average Mass470.562
Monoisotopic Mass470.23045
SMILESCC(=O)[C@H]1C[C@]2(C)[C@H]3Cc4c(cc(O)c5c4C[C@H](C)OC5=O)O[C@@]3(C)[C@@H](O)C[C@H]2C(C)(C)C1=O
InChIInChI=1S/C27H34O7/c1-12-7-15-14-8-20-26(5)11-16(13(2)28)23(31)25(3,4)19(26)10-21(30)27(20,6)34-18(14)9-17(29)22(15)24(32)33-12/h9,12,16,19-21,29-30H,7-8,10-11H2,1-6H3/t12-,16+,19-,20+,21-,26-,27+/m0/s1
InChIKeyYAXVTWLLZWZEHX-QYSKIDIWSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (19300470)
ChEBI Ontology
Outgoing Relation(s)
Pentacecilide C (CHEBI:207524) is a diterpene lactone (CHEBI:49193)
IUPAC Name 
(1R,6S,14R,15S,17R,20R,22S)-20-acetyl-10,15-dihydroxy-6,14,18,18,22-pentamethyl-7,13-dioxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-3(12),4(9),10-triene-8,19-dione
Manual XrefsDatabases
78437892ChemSpider