(2R,3R,4S,5R)-3-{[(3R,4S,5R,6S)-5-{[(2R,4S,5R,6R)-4,6-Dihydroxy-5-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}tetrahydro-2H-pyran-2-yl]oxy}-3,4-dihydroxy-6-methyltetrahydr o-2H-pyran-2-yl]oxy}-4,5-dihydroxytetrahydro-2H-pyran-2-yl (4aR,5R,6aS,6bR,8aR,10S,12aR,12bR,14bS)-5-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-10-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetra hydro-2H-pyran-2-yl]oxy}-1,3,4,5,6,6a,6b,7,8

More details:

• Systematic name

  (2R,3R,4S,5R)-3-{[(3R,4S,5R,6S)-5-{[(2R,4S,5R,6R)-4,6-Dihydroxy-5-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}tetrahydro-2H-pyran-2-yl]oxy}-3,4-dihydroxy-6-methyltetrahydr o-2H-pyran-2-yl]oxy}-4,5-dihydroxytetrahydro-2H-pyran-2-yl (4aR,5R,6aS,6bR,8aR,10S,12aR,12bR,14bS)-5-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-10-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetra hydro-2H-pyran-2-yl]oxy}-1,3,4,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydro-4a(2H)-picenecarboxylate

• SMILES

  C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](C[C@@H](O[C@H]2O)O[C@H]3[C@@H](OC([C@@H]([C@@H]3O)O)O[C@@H]4[C@H]([C@@H](CO[C@@H]4OC(=O)[C@]56CCC(C[C@H]5C7=CC[C@@H]8[C@]9(CC[C@@H](C([C@@H]9CC[C@]8([C@@]7(C[C@H]6O)C)C)(C)C)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)C)(C)C)O)O)C)O)O)O)O

• Std. InChi

  InChI=1S/C58H94O25/c1-23-35(63)38(66)41(69)48(75-23)81-45-27(60)18-34(80-47(45)72)79-44-24(2)76-49(43(71)40(44)68)82-46-36(64)28(61)22-74-51(46)83-52(73)58-17-16-53(3,4)19-26(58)25-10-11-31-55(7)14-13-33(78-50-42(70)39(67)37(65)29(21-59)77-50)54(5,6)30(55)12-15-56(31,8)57(25,9)20-32(58)62/h10,23-24,26-51,59-72H,11-22H2,1-9H3/t23-,24-,26-,27-,28+,29+,30-,31+,32+,33-,34+,35-,36-,37+,38+,39-,40-,41+,42+,43+,44-,45+,46+,47+,48-,49?,50-,51+,55-,56+,57+,58+/m0/s1

• Std. InChIKey

  MLVZUSVJQXPODS-CHMWKIGISA-N

• Cite this record

  CSID:30829620, http://www.chemspider.com/Chemical-Structure.30829620.html (accessed 16:15, Apr 19, 2024)