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CHEBI:23890 - ecdysone 25-O-D-glucopyranoside

ChEBI IDCHEBI:23890
ChEBI Nameecdysone 25-O-D-glucopyranoside
Stars
ASCII Nameecdysone 25-O-D-glucopyranoside
Last Modified25 January 2007
DownloadsMolfile
FormulaC33H54O11
Net Charge0
Average Mass626.784
Monoisotopic Mass626.36661
SMILES[H][C@@]12C[C@@H](O)[C@@H](O)C[C@]1(C)[C@@]1([H])CC[C@@]3(C)[C@@](O)(CC[C@]3([H])[C@H](C)[C@H](O)CCC(C)(C)OC3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C1=CC2=O
InChIInChI=1S/C33H54O11/c1-16(21(35)8-9-30(2,3)44-29-28(41)27(40)26(39)25(15-34)43-29)17-7-11-33(42)19-12-22(36)20-13-23(37)24(38)14-31(20,4)18(19)6-10-32(17,33)5/h12,16-18,20-21,23-29,34-35,37-42H,6-11,13-15H2,1-5H3/t16-,17+,18-,20-,21+,23+,24-,25+,26+,27-,28+,29?,31+,32+,33+/m0/s1
InChIKeyYJBCWBWOULRKGL-OKFUDBSCSA-N
ChEBI Ontology
Outgoing Relation(s)
ecdysone 25-O-D-glucopyranoside (CHEBI:23890) has functional parent ecdysone (CHEBI:16688)
ecdysone 25-O-D-glucopyranoside (CHEBI:23890) is a D-glucoside (CHEBI:35436)
IUPAC Name 
(22R)-2β,3β,14,22-tetrahydroxy-6-oxo-5β-cholest-7-en-25-yl D-glucopyranoside
Synonym  Source
Ecdysone 25-O-glucopyranosideChemIDplus
Registry NumbersSources
CAS:112172-82-4ChemIDplus