13-cis-crocin 3

cas: 164454-41-5 — see every product listed under this CAS number, including other names

13-cis-crocin 3 (CAS 164454-41-5) is a chemical reagent available from Chemat. Available pack sizes: on request. Offered by: Chemat Brand.

brandChemat Brand
catalog numberRM-C261579
cas164454-41-5
sizeon request
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Structural formula: {0} (CAS {1})

(2E,4E,6E,8E,10Z,12E,14E)-2,6,11,15-tetramethyl-16-oxo-16-[(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]oxyhexadeca-2,4,6,8,10,12,14-heptaenoic acid (CAS 164454-41-5) is a chemical compound with the molecular formula C32H44O14 and a molecular weight of 652.7 g/mol. IUPAC name: (2E,4E,6E,8E,10Z,12E,14E)-2,6,11,15-tetramethyl-16-oxo-16-[(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]oxyhexadeca-2,4,6,8,10,12,14-heptaenoic acid. InChIKey: VULLCGFNYWDRHL-SUDHOARESA-N.

Identity
Molecular formulaC32H44O14
Molecular weight652.7 g/mol
IUPAC name(2E,4E,6E,8E,10Z,12E,14E)-2,6,11,15-tetramethyl-16-oxo-16-[(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]oxyhexadeca-2,4,6,8,10,12,14-heptaenoic acid
InChIKeyVULLCGFNYWDRHL-SUDHOARESA-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

Computed by PubChem (NCBI)

Synonyms: 13-cis-Crocin 3, cis-crocin 2, 13-cis-Crocetin-8-O-beta-D-gentiobioside, cis crocetin (beta-D-gentiobiosyl) ester, cis-crocetin mono(beta-D-gentiobiosyl) ester