Crocin Impurity 5

cas: 55750-86-2 — see every product listed under this CAS number, including other names

Crocin Impurity 5 (CAS 55750-86-2) is a chemical reagent available from Chemat. Available pack sizes: on request. Offered by: Chemat Brand.

brandChemat Brand
catalog numberRM-C261575
cas55750-86-2
sizeon request
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Structural formula: {0} (CAS {1})

1-O-methyl 16-O-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioate (CAS 55750-86-2) is a chemical compound with the molecular formula C27H36O9 and a molecular weight of 504.6 g/mol. IUPAC name: 1-O-methyl 16-O-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioate. InChIKey: ATQIQIBBBWQWOT-OMNKTTJZSA-N.

Identity
Molecular formulaC27H36O9
Molecular weight504.6 g/mol
IUPAC name1-O-methyl 16-O-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioate
InChIKeyATQIQIBBBWQWOT-OMNKTTJZSA-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)O)O)O)/C=C/C=C(\C)/C(=O)OC

Computed by PubChem (NCBI)

Synonyms: Crocin 4, Crocin-4, Crocin Impurity 5, orb1690459
Isomers (same molecular formula)
[17-(2-ethoxycarbonyloxyacetyl)-11-hydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl] ethyl carbonate C27H36O9

Also listed as

Crocin-4 MedChemExpress CAS 55750-86-2