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CHEBI:37417 - scillirosidin

ChEBI IDCHEBI:37417
ChEBI Namescillirosidin
Stars
DefinitionA steroid lactone that is bufanolide bearing hydroxy substituents at the 3β-, 8- and 14β-positions, a 6β-acetoxy group and an aromatised pyrone in place of the tetrahydropyrone moiety at the 17-position.
Last Modified19 December 2017
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC26H34O7
Net Charge0
Average Mass458.551
Monoisotopic Mass458.23045
SMILES[H][C@]12CC[C@@]3(C)[C@](O)(CC[C@]3([H])c3ccc(=O)oc3)[C@]1(O)C[C@@H](OC(C)=O)C1=C[C@@H](O)CC[C@@]12C
InChIInChI=1S/C26H34O7/c1-15(27)33-20-13-25(30)21(23(2)9-6-17(28)12-19(20)23)8-10-24(3)18(7-11-26(24,25)31)16-4-5-22(29)32-14-16/h4-5,12,14,17-18,20-21,28,30-31H,6-11,13H2,1-3H3/t17-,18+,20+,21+,23-,24+,25-,26+/m0/s1
InChIKeySOJXCEWHLPYBAF-KDVWZPTCSA-N
ChEBI Ontology
Outgoing Relation(s)
scillirosidin (CHEBI:37417) has functional parent bufanolide (CHEBI:22934)
scillirosidin (CHEBI:37417) is a 8-hydroxy steroid (CHEBI:139333)
scillirosidin (CHEBI:37417) is a steroid lactone (CHEBI:26766)
Incoming Relation(s)
scilliroside (CHEBI:28332) has functional parent scillirosidin (CHEBI:37417)
IUPAC Name 
6β-acetoxy-3β,8α,14-trihydroxybufa-4,20,22-trienolide
Manual XrefsDatabases
US5356881Patent
LMST01130002LIPID MAPS
Registry NumbersSources
Reaxys:65119Reaxys
CAS:507-59-5ChemIDplus
Citations