Products 52730-37-7

CAS 52730-37-7 is the registry number for Sennoside b calciumsalt. Offered by: Biosynth. Available pack sizes: 10mg, 5mg, 25mg, 50mg.

Sennoside b calciumsalt
Biosynth
  • size: 10mg, 5mg, 25mg, 50mg
  • Variants: 4
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Structural formula: {0} (CAS {1})

Calcium 3-carboxy-10-[(9S)-2-carboxy-4-oxido-10-oxo-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9H-anthracen-9-yl]-9-oxo-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-10H-anthracen-1-olate (CAS 52730-37-7) is a chemical compound with the molecular formula C42H36CaO20 and a molecular weight of 900.8 g/mol. IUPAC name: calcium 3-carboxy-10-[(9S)-2-carboxy-4-oxido-10-oxo-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9H-anthracen-9-yl]-9-oxo-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-10H-anthracen-1-olate. InChIKey: JQVYZJIFFAHQKX-CNFKCGATSA-L.

Identity
Molecular formulaC42H36CaO20
Molecular weight900.8 g/mol
IUPAC namecalcium 3-carboxy-10-[(9S)-2-carboxy-4-oxido-10-oxo-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9H-anthracen-9-yl]-9-oxo-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-10H-anthracen-1-olate
InChIKeyJQVYZJIFFAHQKX-CNFKCGATSA-L
SMILESC1=CC2=C(C(=C1)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C(=O)C4=C([C@H]2C5C6=C(C(=CC=C6)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)C(=O)C8=C5C=C(C=C8[O-])C(=O)O)C=C(C=C4[O-])C(=O)O.[Ca+2]

Computed by PubChem (NCBI)

Synonyms: Sennoside B calcium salt, Sennosid B calciumsalz, JQVYZJIFFAHQKX-CNFKCGATSA-L