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Chemical structure of Convallatoxin

GC39701

Convallatoxin

Also known as 5,14-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-3-(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

Convallatoxin is a cardiac glycoside isolated from Adonis amurensis Regel et Radde

ChemicalCAS508-75-8MW550.64FormulaC29H42O10
CAS number
508-75-8
Molecular weight
550.64
Formula
C29H42O10
Solubility
DMSO ： 50 mg/mL (90·80 mM; Need ultrasonic)
InChIKey
HULMNSIAKWANQO-UHFFFAOYSA-N
Catalogue number
GC39701
Brand
GLPBIO
Computed properties PubChem CID 2862 · XLogP -0.7 · TPSA 163 Ų · H-bond donors 5
XLogP
-0.7
TPSA
163 Ų
H-bond donors
5
H-bond acceptors
10
Rotatable bonds
4
Heavy atoms
39

SMILES CC1C(C(C(C(O1)OC2CCC3(C4CCC5(C(CCC5(C4CCC3(C2)O)O)C6=CC(=O)OC6)C)C=O)O)O)O

Computed descriptors from PubChem (CID 2862), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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