CHEBI:37417 - scillirosidin

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ChEBI Name scillirosidin
ChEBI ID CHEBI:37417
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C26H34O7
Net Charge 0
Average Mass 458.54400
Monoisotopic Mass 458.23045
InChI InChI=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
InChIKey SOJXCEWHLPYBAF-KDVWZPTCSA-N
SMILES [H][C@@]1(CC[C@@]2(O)[C@]1(C)CC[C@]1([H])[C@@]3(C)CC[C@H](O)C=C3[C@@H](C[C@@]21O)OC(C)=O)c1ccc(=O)oc1
ChEBI Ontology
Outgoing 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 scilliroside (CHEBI:28332) has functional parent scillirosidin (CHEBI:37417)
IUPAC Name
6β-acetoxy-3β,8α,14-trihydroxybufa-4,20,22-trienolide
Manual Xrefs Databases
LMST01130002 LIPID MAPS
US5356881 Patent
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Registry Numbers Types Sources
507-59-5 CAS Registry Number ChemIDplus
65119 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
1168396 PubMed citation Europe PMC
13044137 PubMed citation Europe PMC
Last Modified
19 December 2017