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CHEBI:217357 - methyl (1R,2S,10S,11R,13R,15S)-15-hydroxy-2,6,6,10,13,15-hexamethyl-17-methylidene-7,14,16-trioxotetracyclo[11.3.1.02,11.05,10]heptadeca-4,8-diene-1-carboxylate

ChEBI IDCHEBI:217357
ChEBI Namemethyl (1R,2S,10S,11R,13R,15S)-15-hydroxy-2,6,6,10,13,15-hexamethyl-17-methylidene-7,14,16-trioxotetracyclo[11.3.1.02,11.05,10]heptadeca-4,8-diene-1-carboxylate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H32O6
Net Charge0
Average Mass440.536
Monoisotopic Mass440.21989
SMILESC=C1[C@@]2(C)C[C@@H]3[C@](C)(CC=C4C(C)(C)C(=O)C=C[C@]43C)[C@]1(C(=O)OC)C(=O)[C@@](C)(O)C2=O
InChIInChI=1S/C26H32O6/c1-14-23(5)13-16-22(4)11-10-17(27)21(2,3)15(22)9-12-24(16,6)26(14,20(30)32-8)19(29)25(7,31)18(23)28/h9-11,16,31H,1,12-13H2,2-8H3/t16-,22+,23+,24-,25-,26-/m0/s1
InChIKeyLJJUYPFLQJLJJJ-GSISZECUSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (29395667)
ChEBI Ontology
Outgoing Relation(s)
methyl (1R,2S,10S,11R,13R,15S)-15-hydroxy-2,6,6,10,13,15-hexamethyl-17-methylidene-7,14,16-trioxotetracyclo[11.3.1.02,11.05,10]heptadeca-4,8-diene-1-carboxylate (CHEBI:217357) is a steroid (CHEBI:35341)
IUPAC Name 
methyl (1R,2S,10S,11R,13R,15S)-15-hydroxy-2,6,6,10,13,15-hexamethyl-17-methylidene-7,14,16-trioxotetracyclo[11.3.1.02,11.05,10]heptadeca-4,8-diene-1-carboxylate