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CHEBI:182734 - Hellebrigenin glucoside

ChEBI IDCHEBI:182734
ChEBI NameHellebrigenin glucoside
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SubmitterMetaboLights
DownloadsMolfile
FormulaC30H42O11
Net Charge0
Average Mass578.655
Monoisotopic Mass578.27271
SMILES[H][C@]12CC[C@]3(C)[C@@H](c4ccc(=O)oc4)CC[C@]3(O)[C@]1([H])CC[C@]1(O)C[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@@]12C=O
InChIInChI=1S/C30H42O11/c1-27-8-5-19-20(30(27,38)11-7-18(27)16-2-3-22(33)39-14-16)6-10-29(37)12-17(4-9-28(19,29)15-32)40-26-25(36)24(35)23(34)21(13-31)41-26/h2-3,14-15,17-21,23-26,31,34-38H,4-13H2,1H3/t17-,18+,19-,20+,21+,23+,24-,25+,26+,27+,28-,29-,30-/m0/s1
InChIKeyAXUYMUBJXHVZEL-DBOUUHTQSA-N
ChEBI Ontology
Outgoing Relation(s)
Hellebrigenin glucoside (CHEBI:182734) has functional parent bufanolide (CHEBI:22934)
Hellebrigenin glucoside (CHEBI:182734) is a steroid lactone (CHEBI:26766)
IUPAC Name 
(3S,5S,8R,9S,10S,13R,14S,17R)-5,14-dihydroxy-13-methyl-17-(6-oxopyran-3-yl)-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde
Manual XrefsDatabases
2317239ChemSpider
Registry NumbersSources
CAS:72947-90-1ChemIDplus