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CHEBI:201546 - Spinosyn D 17-pseudoaglycone

ChEBI IDCHEBI:201546
ChEBI NameSpinosyn D 17-pseudoaglycone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC34H52O9
Net Charge0
Average Mass604.781
Monoisotopic Mass604.36113
SMILESCCC1CCCC(O)C(C)C(=O)C2=CC3C(C=C(C)C4CC(OC5OC(C)C(OC)C(OC)C5OC)CC43)C2CC(=O)O1
InChIInChI=1S/C34H52O9/c1-8-20-10-9-11-28(35)18(3)30(37)27-15-25-23(26(27)16-29(36)42-20)12-17(2)22-13-21(14-24(22)25)43-34-33(40-7)32(39-6)31(38-5)19(4)41-34/h12,15,18-26,28,31-35H,8-11,13-14,16H2,1-7H3
InChIKeyPGGPPEHRBUYMQU-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Spinosyn D 17-pseudoaglycone (CHEBI:201546) is a macrolide (CHEBI:25106)
IUPAC Name 
(1S,2S,5R,7S,9S,10S,14R,15S,19S)-19-ethyl-15-hydroxy-4,14-dimethyl-7-[(2R,3R,4R,5S,6S)-3,4,5-trimethoxy-6-methyloxan-2-yl]oxy-20-oxatetracyclo[10.10.0.02,10.05,9]docosa-3,11-diene-13,21-dione
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8897700ChemSpider