Phyllocactin

cas: 15167-85-8 — see every product listed under this CAS number, including other names

Phyllocactin (CAS 15167-85-8) is a chemical reagent available from Chemat. Available pack sizes: 1mg. Offered by: Biosynth.

brandBiosynth
catalog numberQAA16785-1mg
cas15167-85-8
size1mg
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properties

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

(2S,4E)-4-[2-[(2S)-2-carboxy-5-[(2S,3R,4S,5S,6R)-6-[(2-carboxyacetyl)oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-6-hydroxy-2,3-dihydroindol-1-ium-1-ylidene]ethylidene]-2,3-dihydro-1H-pyridine-2,6-dicarboxylic acid (CAS 15167-85-8) is a chemical compound with the molecular formula C27H29N2O16+ and a molecular weight of 637.5 g/mol. IUPAC name: (2S,4E)-4-[2-[(2S)-2-carboxy-5-[(2S,3R,4S,5S,6R)-6-[(2-carboxyacetyl)oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-6-hydroxy-2,3-dihydroindol-1-ium-1-ylidene]ethylidene]-2,3-dihydro-1H-pyridine-2,6-dicarboxylic acid. InChIKey: BDLRBECIDGNTEK-JNIKQVIDSA-O.

Identity
Molecular formulaC27H29N2O16+
Molecular weight637.5 g/mol
IUPAC name(2S,4E)-4-[2-[(2S)-2-carboxy-5-[(2S,3R,4S,5S,6R)-6-[(2-carboxyacetyl)oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-6-hydroxy-2,3-dihydroindol-1-ium-1-ylidene]ethylidene]-2,3-dihydro-1H-pyridine-2,6-dicarboxylic acid
InChIKeyBDLRBECIDGNTEK-JNIKQVIDSA-O
SMILESC\1[C@H](NC(=C/C1=C/C=[N+]2[C@@H](CC3=CC(=C(C=C32)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)COC(=O)CC(=O)O)O)O)O)C(=O)O)C(=O)O)C(=O)O

Computed by PubChem (NCBI)

Synonyms: malonylbetanin, Phyllocactin