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CHEBI:135898 - lanatoside C

Default Structure
ChEBI IDCHEBI:135898
ChEBI Namelanatoside C
Stars
Last Modified23 February 2017
DownloadsMolfile
FormulaC49H76O20
Net Charge0
Average Mass985.127
Monoisotopic Mass984.49299
SMILES[H][C@]1(O[C@H]2[C@@H](O)C[C@]([H])(O[C@H]3[C@@H](O)C[C@]([H])(O[C@H]4CC[C@@]5(C)[C@]([H])(CC[C@]6([H])[C@]5([H])C[C@@H](O)[C@]5(C)[C@@H](C7=CC(=O)OC7)CC[C@@]56O)C4)O[C@@H]3C)O[C@@H]2C)C[C@H](OC(C)=O)[C@H](O[C@@]2([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](C)O1
InChIInChI=1S/C49H76O20/c1-21-43(67-38-17-32(53)44(22(2)62-38)68-39-18-33(64-24(4)51)45(23(3)63-39)69-46-42(58)41(57)40(56)34(19-50)66-46)31(52)16-37(61-21)65-27-9-11-47(5)26(14-27)7-8-29-30(47)15-35(54)48(6)28(10-12-49(29,48)59)25-13-36(55)60-20-25/h13,21-23,26-35,37-46,50,52-54,56-59H,7-12,14-20H2,1-6H3/t21-,22-,23-,26-,27+,28-,29-,30+,31+,32+,33+,34-,35-,37+,38+,39+,40-,41+,42-,43-,44-,45-,46-,47+,48+,49+/m1/s1
InChIKeyJAYAGJDXJIDEKI-BNNXBDHTSA-N
Roles Classification
Application:
cardioprotective agent  Any protective agent that is able to prevent damage to the heart.
ChEBI Ontology
Outgoing Relation(s)
lanatoside C (CHEBI:135898) is a cardenolide glycoside (CHEBI:38092)
Synonyms  Source
allocorDrugCentral
cedilanidDrugCentral
ceglunatDrugCentral
ceglunateDrugCentral
celadigalDrugCentral
celanidDrugCentral
Manual XrefsDatabases
1543DrugCentral
Registry NumbersSources
CAS:17575-22-3DrugCentral