(2R,3R,4R,5R,6S)-2-[[(2R,3S,4S,5R,6S)-6-[5,7-Dihydroxy-2-(4-Hydroxy-3-Methoxy-Phenyl)Chromenylium-3-Yl]Oxy-3,4,5-Trihydroxy-Tetrahydropyran-2-Yl]Methoxy]-6-Methyl-Tetrahydropyran-3,4,5-Triol Chloride
[CAS# 27539-32-8]

Identification

• Name: (2R,3R,4R,5R,6S)-2-[[(2R,3S,4S,5R,6S)-6-[5,7-Dihydroxy-2-(4-Hydroxy-3-Methoxy-Phenyl)Chromenylium-3-Yl]Oxy-3,4,5-Trihydroxy-Tetrahydropyran-2-Yl]Methoxy]-6-Methyl-Tetrahydropyran-3,4,5-Triol Chloride
• Synonyms: PEONIDIN-3-O-RUTINOSIDE CHLORIDE
• Molecular Formula: C₂₈H₃₃ClO₁₅
• Molecular Weight: 645.01
• CAS Registry Number: 27539-32-8
• SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)Oc3cc4c(cc(cc4[o+]c3c5ccc(c(c5)OC)O)O)O)O)O)O)O)O)O.[Cl-]
• InChI: 1S/C28H32O15.ClH/c1-10-20(32)22(34)24(36)27(40-10)39-9-19-21(33)23(35)25(37)28(43-19)42-18-8-13-15(31)6-12(29)7-16(13)41-26(18)11-3-4-14(30)17(5-11)38-2;/h3-8,10,19-25,27-28,32-37H,9H2,1-2H3,(H2-,29,30,31);1H/t10-,19+,20-,21+,22+,23-,24+,25+,27+,28+;/m0./s1
• InChIKey: KDFHRPXMWKFYPK-DCFICEFQSA-N

Properties

• Refractive index: (Cal.)