Products 91740-80-6

CAS 91740-80-6 is the registry number for Crocin Impurity 1. Offered by: Chemat Brand. Available pack sizes: on request.

Crocin Impurity 1
Chemat Brand
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  • Variants: 1
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Bis[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl] (2E,4E,6Z,8E,10E,12E,14E)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioate (CAS 91740-80-6) is a chemical compound with the molecular formula C44H64O24 and a molecular weight of 977.0 g/mol. IUPAC name: bis[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl] (2E,4E,6Z,8E,10E,12E,14E)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioate. InChIKey: SEBIKDIMAPSUBY-FEZBIEGXSA-N.

Identity
Molecular formulaC44H64O24
Molecular weight977.0 g/mol
IUPAC namebis[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl] (2E,4E,6Z,8E,10E,12E,14E)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioate
InChIKeySEBIKDIMAPSUBY-FEZBIEGXSA-N
SMILESC/C(=C\C=C\C=C(\C)/C=C/C=C(\C)/C(=O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)O)/C=C/C=C(\C)/C(=O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)O

Computed by PubChem (NCBI)

Synonyms: cis-crocin 4, cis-crocin-4, Crocin Impurity 1, cis-4-GG, 13-cis crocetin di-beta-D-gentiobioside, cis-crocetin bis(beta-D-gentiobiosyl) ester, cis crocetin di-(beta-D-gentiobiosyl) ester, cis-crocetin di-(beta-D-gentiobiosyl) ester
Related forms of this compound
bis[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl] (2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioate C44H64O24