Convallatoxin

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Systematic / IUPAC Name: (3S,5S,8R,9S,10S,13R,14S)-5,14-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-3-[(3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde

ID: Reference1998

Other Names: Convallaotoxin;
Convallaton;
Corglycon;
Convallatoxoside;
Strophanthidin α-L-rhamnoside ; more

Formula: C29H42O10

Spectral Data

Convallatoxin mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Plus Orbitrap
No. of Spectral Trees 1
No. of Spectra 45
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 1/8/2015 1:06:58 PM
View Mass Spec Data > >

Identificators

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
InChI Key HULMNSIAKWANQO-UZQFYTNMSA-N
Canonical SMILES CC1C(C(C(C(O1)OC2CCC3(C4CCC5(C(CCC5(C4CCC3(C2)O)O)C6=CC(=O)OC6)C)C=O)O)O)O
CAS 508758
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Other Names Convallaotoxin;
Convallaton;
Corglycon;
Convallatoxoside;
Strophanthidin α-L-rhamnoside;
Rhamnoside, strophanthidin-3, α-L-;
Mannopyranoside, strophanthidin-3,6-deoxy-, α-L-;
Card-20(22)-enolide, 3-((6-deoxy-α-L-mannopyranosyl)oxy)-5,14-dihydroxy-19-oxo-, (3β,5β)-;
Mannopyranoside, strophanthidin-3 6-deoxy-, α-L-;
(3β,5β,17ξ)-3-[(6-Deoxy-L-mannopyranosyl)oxy]-5,14-dihydroxy-19-oxocard-20(22)-enolide

In Other Databases

Wikipedia Convallatoxin
ChemSpider 10069
ChemIDPlus 000508758
PubChem 10502