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Convallatoxin information


Convallatoxin
Names
IUPAC name
5,14-Dihydroxy-19-oxo-3β-(α-L-rhamnopyranosyloxy)-5β-card-20(22)-enolide
Systematic IUPAC name
(1R,3aS,3bR,5aS,7S,9aS,9bS,11aR)-3a,5a-Dihydroxy-11a-methyl-1-(5-oxo-2,5-dihydrofuran-3-yl)-7-{[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}hexadecahydro-9aH-cyclopenta[a]phenanthrene-9a-carbaldehyde
Other names
Strophanthin 3alpha-1-rhamnoside; Strophanthidin alpha-l-rhamnopyranoside; Strophanthidin a-l-rhamnopyranoside; Corglycon (Russian: Коргликон); 20(22),5beta-cardenolid-19-al-3beta,5beta,14beta-triol-3beta-d-[a-1-rhamnopyranoside]; 5Beta,20[22]-cardenolide-19-one-3beta,5alpha,14-triol-3-[6-deoxy-alpha-l-mannopyranosyl]; 3Beta,5alpha,14-trihydroxy-19-oxo-5beta,20[22]-cardenolide-3-[6-deoxy-alpha-l-mannopyranosyl]
Identifiers
CAS Number
  • 508-75-8 checkY
3D model (JSmol)
  • Interactive image
ChEBI
  • CHEBI:27663 ☒N
ChEMBL
  • ChEMBL399336 ☒N
ChemSpider
  • 390428 ☒N
ECHA InfoCard 100.007.352 Edit this at Wikidata
EC Number
  • 208-086-3
PubChem CID
  • 441852
UNII
  • JY264VIR1Y checkY
CompTox Dashboard (EPA)
  • DTXSID90862073 Edit this at Wikidata
InChI
  • InChI=1S/C29H42O10/c1-15-22(32)23(33)24(34)25(38-15)39-17-3-8-27(14-30)19-4-7-26(2)18(16-11-21(31)37-13-16)6-10-29(26,36)20(19)5-9-28(27,35)12-17/h11,14-15,17-20,22-25,32-36H,3-10,12-13H2,1-2H3/t15-,17-,18+,19-,20+,22-,23+,24+,25-,26+,27-,28-,29-/m0/s1 ☒N
    Key: HULMNSIAKWANQO-JQKSAQOKSA-N ☒N
  • InChI=1/C29H42O10/c1-15-22(32)23(33)24(34)25(38-15)39-17-3-8-27(14-30)19-4-7-26(2)18(16-11-21(31)37-13-16)6-10-29(26,36)20(19)5-9-28(27,35)12-17/h11,14-15,17-20,22-25,32-36H,3-10,12-13H2,1-2H3/t15-,17-,18+,19-,20+,22-,23+,24+,25-,26+,27-,28-,29-/m0/s1
    Key: HULMNSIAKWANQO-JQKSAQOKBT
SMILES
  • O=C\1OC/C(=C/1)[C@H]2CC[C@@]6(O)[C@]2(C)CC[C@H]4[C@H]6CC[C@]5(O)C[C@@H](O[C@@H]3O[C@H]([C@H](O)[C@@H](O)[C@H]3O)C)CC[C@]45C=O
Properties
Chemical formula
C29H42O10
Molar mass 550.645 g·mol−1
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
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Infobox references

Convallatoxin is a glycoside extracted from Convallaria majalis.

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especially the bulb and flowers, contains cardiac glycosides, specifically convallatoxin and convalloside which are toxic to humans and livestock. Symptoms of...

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