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Convallatoxin

CAT: 1410-M29122-04Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1410-M29122-04Size:10 mg
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Description
Convallatoxin is a natural product.
CAS Number
508-75-8
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
550.645
Molecular Formula
C29H42O10
Notes
Research use only, not for human use.
Receptor
NF-κB

Chemical Information

Convallatoxin

Convallatoxin is a cardenolide glycoside that consists of strophanthidin having a 6-deoxy-alpha-L-mannopyranosyl (L-rhamnosyl) group attached at position 3. It has a role as a metabolite and a vasodilator agent. It is a steroid aldehyde, a steroid lactone, an alpha-L-rhamnoside, a 14beta-hydroxy steroid, a 19-oxo steroid and a 5beta-hydroxy steroid. It is functionally related to a strophanthidin.

CAS Number508-75-8
PubChem CID441852
IUPAC Name(3S,5S,8R,9S,10S,13R,14S,17R)-5,14-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-3-[(2R,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
Molecular FormulaC29H42O10
Molecular Weight550.6
XLogP-0.7
Topological Polar Surface Area163
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count10
Rotatable Bond Count4
Heavy Atom Count39
Formal Charge0
Complexity1050
SMILES
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]2CC[C@@]3([C@H]4CC[C@@]5([C@H](CC[C@@]5([C@@H]4CC[C@@]3(C2)O)O)C6=CC(=O)OC6)C)C=O)O)O)O
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
InChIKey
HULMNSIAKWANQO-JQKSAQOKSA-N
Chemical Structure
2D Structure
2D structure of Convallatoxin
CAS: 508-75-8
CID: 441852
Formula: C29H42O10
MW: 550.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight550.6
XLogP3-0.7
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count10
Rotatable Bond Count4
Exact Mass550.27779753
Monoisotopic Mass550.27779753
Topological Polar Surface Area163 Ų
Heavy Atom Count39
Formal Charge0
Complexity1050
Isotope Atom Count0
Defined Atom Stereocenter Count13
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
BA4457-10Convallatoxin
C25240-01Convallatoxin 90%
HY-N2453RConvallatoxin (Standard)

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