CHEBI:5644 - Hellebrigenin 3-acetate

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ChEBI Name Hellebrigenin 3-acetate
ChEBI ID CHEBI:5644
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C26H34O7
Net Charge 0
Average Mass 458.545
Monoisotopic Mass 458.23045
InChI InChI=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
InChIKey VIOBLZMEZRNYRR-XDFZRXKSSA-N
SMILES CC(=O)O[C@H]1CC[C@]2(C=O)[C@H]3CC[C@]4(C)[C@H](CC[C@]4(O)[C@@H]3CC[C@]2(O)C1)c1ccc(=O)oc1
ChEBI Ontology
Outgoing 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-acetate KEGG COMPOUND
Manual Xrefs Databases
C00003623 KNApSAcK
C08867 KEGG COMPOUND
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Registry Number Type Source
4064-09-9 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014