(Z)-Aldosecologanin (centauroside)

cas: 82474-97-3 — see every product listed under this CAS number, including other names

(Z)-Aldosecologanin (centauroside) (CAS 82474-97-3) is a chemical reagent available from Chemat. Available pack sizes: 25mg, 10mg, 50mg. Offered by: Biosynth.

brandBiosynth
catalog numberHDA47497-25mg
cas82474-97-3
size25mg
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properties

categoryNatural Products
purityNo data
delivery time3-4 Weeks
Structural formula: {0} (CAS {1})

Methyl (2S,3R,4S)-3-ethenyl-4-[(Z)-3-[(2S,3R,4R)-3-ethenyl-5-methoxycarbonyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-4-yl]-4-oxobut-2-enyl]-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylate (CAS 82474-97-3) is a chemical compound with the molecular formula C34H46O19 and a molecular weight of 758.7 g/mol. IUPAC name: methyl (2S,3R,4S)-3-ethenyl-4-[(Z)-3-[(2S,3R,4R)-3-ethenyl-5-methoxycarbonyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-4-yl]-4-oxobut-2-enyl]-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylate. InChIKey: MWLKXILGJPSPKZ-LWSBBEHMSA-N.

Identity
Molecular formulaC34H46O19
Molecular weight758.7 g/mol
IUPAC namemethyl (2S,3R,4S)-3-ethenyl-4-[(Z)-3-[(2S,3R,4R)-3-ethenyl-5-methoxycarbonyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-4-yl]-4-oxobut-2-enyl]-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylate
InChIKeyMWLKXILGJPSPKZ-LWSBBEHMSA-N
SMILESCOC(=O)C1=CO[C@H]([C@@H]([C@@H]1C/C=C(\C=O)/[C@H]2[C@H]([C@@H](OC=C2C(=O)OC)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C=C)C=C)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O

Computed by PubChem (NCBI)

Synonyms: (Z)-Aldosecologanin (Centauroside), Aldosecologanin, (E)-Aldosecologanin, (Z)-Aldosecologanin, orb1681448, orb1682710
Related forms of this compound
methyl (2S,3R,4S)-3-ethenyl-4-[(E)-3-[(2S,3R,4R)-3-ethenyl-5-methoxycarbonyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-4-yl]-4-oxobut-2-enyl]-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylate C34H46O19

Also listed as

(Z)-Aldosecologanin (Centauroside), ≥95% Chemat CAS 82474-97-3