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CHEBI:70992 - strospeside

ChEBI IDCHEBI:70992
ChEBI Namestrospeside
Stars
DefinitionA cardenolide glycoside in which the parent structure gitoxigenin is glycosylated at the 3β-hydroxy group by β-D-digitalose.
Last Modified17 December 2012
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC30H46O9
Net Charge0
Average Mass550.689
Monoisotopic Mass550.31418
SMILES[H][C@]12CC[C@]3([H])[C@]([H])(CC[C@@]4(C)[C@]3(O)C[C@H](O)[C@]4([H])C3=CC(=O)OC3)[C@@]1(C)CC[C@H](O[C@@H]1O[C@H](C)[C@H](O)[C@H](OC)[C@H]1O)C2
InChIInChI=1S/C30H46O9/c1-15-24(33)26(36-4)25(34)27(38-15)39-18-7-9-28(2)17(12-18)5-6-20-19(28)8-10-29(3)23(16-11-22(32)37-14-16)21(31)13-30(20,29)35/h11,15,17-21,23-27,31,33-35H,5-10,12-14H2,1-4H3/t15-,17-,18+,19+,20-,21+,23+,24+,25-,26+,27+,28+,29-,30+/m1/s1
InChIKeyCPFNIKYEDJFRAT-RVPZLBNISA-N
Roles Classification
Application:
cardioprotective agent  Any protective agent that is able to prevent damage to the heart.
ChEBI Ontology
Outgoing Relation(s)
strospeside (CHEBI:70992) has functional parent gitoxigenin (CHEBI:38105)
strospeside (CHEBI:70992) is a cardenolide glycoside (CHEBI:38092)
IUPAC Name 
3β-(6-deoxy-3-O-methyl-β-D-galactopyranosyloxy)-14,16β-dihydroxy-5β-card-20(22)-enolide
Synonym  Source
gitoxigenin 3-O-β-D-digitalopyranosideChEBI
Registry NumbersSources
Reaxys:3659140Reaxys
CAS:595-21-1ChemIDplus
Citations