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CHEBI:209700 - Cattienoid C

ChEBI IDCHEBI:209700
ChEBI NameCattienoid C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H32O5
Net Charge0
Average Mass400.515
Monoisotopic Mass400.22497
SMILESCC(=O)[C@H]1C[C@@H](O)[C@@]2(C)C3=C(C=C4C=CC(=O)OC(C)(C)[C@]4(O)CC3)CC[C@]12C
InChIInChI=1S/C24H32O5/c1-14(25)18-13-19(26)23(5)17-9-11-24(28)16(6-7-20(27)29-21(24,2)3)12-15(17)8-10-22(18,23)4/h6-7,12,18-19,26,28H,8-11,13H2,1-5H3/t18-,19-,22-,23-,24+/m1/s1
InChIKeyQWAMDMMRCXTFAW-UOBOAIMASA-N
Species of MetaboliteComponentSourceComments
Tomophagus cattienensis (ncbitaxon:1069710) - PubMed (24001711)
ChEBI Ontology
Outgoing Relation(s)
Cattienoid C (CHEBI:209700) is a tertiary alcohol (CHEBI:26878)
IUPAC Name 
(9S,13R,14R,16S,17R)-16-acetyl-9,14-dihydroxy-8,8,13,17-tetramethyl-7-oxatetracyclo[10.7.0.03,9.013,17]nonadeca-1(12),2,4-trien-6-one
Manual XrefsDatabases
58826933ChemSpider