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CHEBI:80753 - k-Strophanthin-beta

ChEBI IDCHEBI:80753
ChEBI Namek-Strophanthin-beta
Stars
Last Modified17 March 2016
DownloadsMolfile
FormulaC36H54O14
Net Charge0
Average Mass710.814
Monoisotopic Mass710.35136
SMILES[H][C@]12CC[C@@]3(C)[C@](O)(CC[C@]3([H])C3=CC(=O)OC3)[C@]1([H])CC[C@]1(O)C[C@@H](O[C@H]3C[C@H](OC)[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](C)O3)CC[C@@]12C=O
InChIInChI=1S/C36H54O14/c1-18-31(50-32-30(42)29(41)28(40)25(15-37)49-32)24(45-3)13-27(47-18)48-20-4-9-34(17-38)22-5-8-33(2)21(19-12-26(39)46-16-19)7-11-36(33,44)23(22)6-10-35(34,43)14-20/h12,17-18,20-25,27-32,37,40-44H,4-11,13-16H2,1-3H3/t18-,20+,21-,22+,23-,24+,25-,27+,28-,29+,30-,31-,32+,33-,34+,35+,36+/m1/s1
InChIKeyFHIREUBIEIPPMC-SADZTDHOSA-N
Roles Classification
Application:
cardioprotective agent  Any protective agent that is able to prevent damage to the heart.
ChEBI Ontology
Outgoing Relation(s)
k-Strophanthin-beta (CHEBI:80753) is a cardenolide glycoside (CHEBI:38092)
k-Strophanthin-beta (CHEBI:80753) is a steroid aldehyde (CHEBI:131565)
Manual XrefsDatabases
C16820KEGG COMPOUND
Registry NumbersSources
CAS:560-53-2KEGG COMPOUND