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CHEBI:181527 - (5-Acetyloxy-9,18-dihydroxy-2,6,10-trimethyl-16-oxo-14-pyridin-3-yl-11,15-dioxatetracyclo[8.8.0.02,7.012,17]octadeca-12(17),13-dien-6-yl)methyl acetate

ChEBI IDCHEBI:181527
ChEBI Name(5-Acetyloxy-9,18-dihydroxy-2,6,10-trimethyl-16-oxo-14-pyridin-3-yl-11,15-dioxatetracyclo[8.8.0.02,7.012,17]octadeca-12(17),13-dien-6-yl)methyl acetate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H35NO9
Net Charge0
Average Mass541.597
Monoisotopic Mass541.23118
SMILESCC(=O)OCC1(C)C(OC(C)=O)CCC2(C)C1CC(O)C1(C)Oc3cc(-c4cccnc4)oc(=O)c3C(O)C21
InChIInChI=1S/C29H35NO9/c1-15(31)36-14-28(4)20-12-21(33)29(5)25(27(20,3)9-8-22(28)37-16(2)32)24(34)23-19(39-29)11-18(38-26(23)35)17-7-6-10-30-13-17/h6-7,10-11,13,20-22,24-25,33-34H,8-9,12,14H2,1-5H3
InChIKeyLGGJSHGJCMYMKU-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
(5-Acetyloxy-9,18-dihydroxy-2,6,10-trimethyl-16-oxo-14-pyridin-3-yl-11,15-dioxatetracyclo[8.8.0.02,7.012,17]octadeca-12(17),13-dien-6-yl)methyl acetate (CHEBI:181527) is a steroid lactone (CHEBI:26766)
IUPAC Name 
(5-acetyloxy-9,18-dihydroxy-2,6,10-trimethyl-16-oxo-14-pyridin-3-yl-11,15-dioxatetracyclo[8.8.0.02,7.012,17]octadeca-12(17),13-dien-6-yl)methyl acetate
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29814702ChemSpider