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CHEBI:182698 - methyl (E)-3-[18-acetyloxy-7-(furan-3-yl)-17-hydroxy-1,8,15,15-tetramethyl-5-oxo-3,6,14-trioxapentacyclo[9.7.0.02,4.02,8.012,16]octadecan-12-yl]prop-2-enoate

ChEBI IDCHEBI:182698
ChEBI Namemethyl (E)-3-[18-acetyloxy-7-(furan-3-yl)-17-hydroxy-1,8,15,15-tetramethyl-5-oxo-3,6,14-trioxapentacyclo[9.7.0.02,4.02,8.012,16]octadecan-12-yl]prop-2-enoate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H36O10
Net Charge0
Average Mass544.597
Monoisotopic Mass544.23085
SMILESCOC(=O)/C=C/C12COC(C)(C)C1C(O)C(OC(C)=O)C1(C)C2CCC2(C)C(c3ccoc3)OC(=O)C3OC321
InChIInChI=1S/C29H36O10/c1-15(30)37-22-19(32)20-25(2,3)36-14-28(20,11-8-18(31)34-6)17-7-10-26(4)21(16-9-12-35-13-16)38-24(33)23-29(26,39-23)27(17,22)5/h8-9,11-13,17,19-23,32H,7,10,14H2,1-6H3/b11-8+
InChIKeyXWOZTQQJYJMHSX-DHZHZOJOSA-N
ChEBI Ontology
Outgoing Relation(s)
methyl (E)-3-[18-acetyloxy-7-(furan-3-yl)-17-hydroxy-1,8,15,15-tetramethyl-5-oxo-3,6,14-trioxapentacyclo[9.7.0.02,4.02,8.012,16]octadecan-12-yl]prop-2-enoate (CHEBI:182698) is a steroid lactone (CHEBI:26766)
IUPAC Name 
methyl (E)-3-[18-acetyloxy-7-(uran-3-yl)-17-hydroxy-1,8,15,15-tetramethyl-5-oxo-3,6,14-trioxapentacyclo[9.7.0.02,4.02,8.012,16]octadecan-12-yl]prop-2-enoate
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