Melitidin

Product Specifications

Synonyms

5-(((2R,3S,4S,5R,6S)-3,4-Dihydroxy-6-(5-hydroxy-2-(4-hydroxyphenyl)-4-oxochroman-7-yl)-5-(((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)methoxy)-3-hydroxy-3-methyl-5-oxopentanoic Acid

Hazard Statement

No Data Available

Smiles

C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](COC(=O)CC(C)(O)CC(=O)O)O[C@H]2c3cc(O)c4C(=O)CC(Oc4c3)c5ccc(O)cc5)[C@H](O)[C@H](O)[C@H]1O

Molecular Formula

C33 H40 O17

Molecular Weight

708.66

InChI

InChI=1S/C33H40O17/c1-13-25(40)27(42)29(44)32(47-13)50-31-28(43)26(41)21(12-46-23(39)11-33(2,45)10-22(37)38)49-30(31)15-7-17(35)24-18(36)9-19(48-20(24)8-15)14-3-5-16(34)6-4-14/h3-8,13,19,21,25-32,34-35,40-45H,9-12H2,1-2H3,(H,37,38)/t13-,19?,21+,25-,26+,27+,28-,29+,30-,31+,32-,33?/m0/s1

Additionnal Information

IUPAC name: 5-[[(2R,3S,4S,5R,6S)-3,4-dihydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-chroman-7-yl]-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]methoxy]-3-hydroxy-3-methyl-5-oxo-pentanoic acid