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Chemical structure of Carboxyatractyloside dipotassium

GC38744

Carboxyatractyloside dipotassium

Also known as dipotassium;(1R,4S,7S,9S,10S,13R,15S)-15-hydroxy-7-[(2R,3R,4R,5R,6R)-6-(hydroxymethyl)-3-(3-methylbutanoyloxy)-4,5-disulfooxyoxan-2-yl]oxy-9-methyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5,5-dicarboxylate

Carboxyatractyloside dipotassium is a toxic natural product, acts as an inhibitor of ADP/ATP carrier, inhibits mitochondrial ADP/ATP transport

ChemicalCAS33286-30-5MW847FormulaC31H44K2O18S2
CAS number
33286-30-5
Molecular weight
847
Formula
C31H44K2O18S2
Solubility
H2O ： 100 mg/mL (118·06 mM; Need ultrasonic); DMSO ： 25 mg/mL (29·52 mM; ultrasonic and warming and heat to 60°C)
InChIKey
FPJGZZYAZUKPAD-WWJHHVHBSA-L
Catalogue number
GC38744
Brand
GLPBIO
Computed properties PubChem CID 101834999 · TPSA 309 Ų · H-bond donors 4 · H-bond acceptors 18
TPSA
309 Ų
H-bond donors
4
H-bond acceptors
18
Rotatable bonds
11
Heavy atoms
53

SMILES CC(C)CC(=O)O[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@H]2C[C@]3([C@@H]4CC[C@@H]5C[C@@]4(CC[C@@H]3C(C2)(C(=O)[O-])C(=O)[O-])[C@H](C5=C)O)C)CO)OS(=O)(=O)O)OS(=O)(=O)O.[K+].[K+]

Computed descriptors from PubChem (CID 101834999), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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