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CHEBI:5644 - Hellebrigenin 3-acetate

ChEBI IDCHEBI:5644
ChEBI NameHellebrigenin 3-acetate
Stars
Last Modified28 July 2014
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([H])CC[C@]1(O)C[C@@H](OC(C)=O)CC[C@@]12C=O
InChIInChI=1S/C26H34O7/c1-16(28)33-18-5-10-24(15-27)20-6-9-23(2)19(17-3-4-22(29)32-14-17)8-12-26(23,31)21(20)7-11-25(24,30)13-18/h3-4,14-15,18-21,30-31H,5-13H2,1-2H3/t18-,19+,20-,21+,23+,24-,25-,26-/m0/s1
InChIKeyVIOBLZMEZRNYRR-XDFZRXKSSA-N
ChEBI Ontology
Outgoing Relation(s)
Hellebrigenin 3-acetate (CHEBI:5644) has functional parent bufanolide (CHEBI:22934)
Hellebrigenin 3-acetate (CHEBI:5644) is a steroid lactone (CHEBI:26766)
Synonym  Source
Hellebrigenin 3-acetateKEGG COMPOUND
Manual XrefsDatabases
C08867KEGG COMPOUND
C00003623KNApSAcK
Registry NumbersSources
CAS:4064-09-9KEGG COMPOUND