(1S)-1alpha-(beta-D-Glucopyranosyloxy)-6alpha-[[(E)-3-[4-(beta-D-Glucopyranosyloxy)-3-Methoxyphenyl]-1-Oxo-2-Propenyl]Oxy]-1,4aalpha,5,6,7,7aalpha-Hexahydro-7alpha-Methylcyclopenta[c]Pyran-4-Carboxylic Acid
[CAS# 96681-56-0]

Identification

• Name: (1S)-1alpha-(beta-D-Glucopyranosyloxy)-6alpha-[[(E)-3-[4-(beta-D-Glucopyranosyloxy)-3-Methoxyphenyl]-1-Oxo-2-Propenyl]Oxy]-1,4aalpha,5,6,7,7aalpha-Hexahydro-7alpha-Methylcyclopenta[c]Pyran-4-Carboxylic Acid
• Synonyms: 6-[(E)-3-[3-Methoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-Phenyl]Prop-2-Enoyl]Oxy-7-Methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-1,4A,5,6,7,7A-Hexahydrocyclopenta[D]Pyran-4-
• Molecular Formula: C₃₂H₄₂O₁₈
• Molecular Weight: 714.67
• CAS Registry Number: 96681-56-0
• SMILES: [C@@H]5(OC1OC=C(C4C1C(C(OC(=O)\C=C\C3=CC=C(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)CO)C(=C3)OC)C4)C)C(=O)O)O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)CO
• InChI: 1S/C32H42O18/c1-12-17(8-14-15(29(42)43)11-45-30(22(12)14)50-32-28(41)26(39)24(37)20(10-34)49-32)46-21(35)6-4-13-3-5-16(18(7-13)44-2)47-31-27(40)25(38)23(36)19(9-33)48-31/h3-7,11-12,14,17,19-20,22-28,30-34,36-41H,8-10H2,1-2H3,(H,42,43)/b6-4+/t12?,14?,17?,1
• InChIKey: QTZXVESWHBGRDB-DEIAFWENSA-N