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Malvin(chloride) , CAS No.16727-30-3
Basic Description
Synonyms | Malvin chloride|16727-30-3|Malvin(chloride)|MALVIN|MALVIDIN 3,5-DIGLUCOSIDE|Malvidin-3,5-O-diglucoside chloride|I9I120531L|3,5-Bis(beta-D-glucopyranosyloxy)-7-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-1-benzopyrylium chloride|UNII-I9I120531L|EINECS 240-78 |
Storage Temp | Store at -20°C |
Shipped In | Ice chest + Ice pads |
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Names and Identifiers
IUPAC Name | (2S,3R,4S,5S,6R)-2-[7-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromenylium-5-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;chloride |
INCHI | InChI=1S/C29H34O17.ClH/c1-40-15-3-10(4-16(41-2)20(15)33)27-17(44-29-26(39)24(37)22(35)19(9-31)46-29)7-12-13(42-27)5-11(32)6-14(12)43-28-25(38)23(36)21(34)18(8-30)45-28;/h3-7,18-19,21-26,28-31,34-39H,8-9H2,1-2H3,(H-,32,33);1H/t18-,19-,21-,22-,23+,24+,25-,26-,28-,29-;/m1./s1 |
InChi Key | RHKJIVJBQJXLBY-FTIBDFQESA-N |
Canonical SMILES | COC1=CC(=CC(=C1O)OC)C2=C(C=C3C(=CC(=CC3=[O+]2)O)OC4C(C(C(C(O4)CO)O)O)O)OC5C(C(C(C(O5)CO)O)O)O.[Cl-] |
Isomeric SMILES | COC1=CC(=CC(=C1O)OC)C2=C(C=C3C(=CC(=CC3=[O+]2)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O.[Cl-] |
PubChem CID | 5319251 |
Molecular Weight | 691.03 |
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