[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl] (4aS,6aR,6aS,6bR,9R,10S,12aR,14bR)-10-[(2S,3R,4R,5R)-5-[(2S,3R,4R,5S,6S)-4-[(2S,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-3,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-3,4-dihydroxy-tetrahydropyran-2-yl]oxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate

More details:

• Systematic name

  [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl] (4aS,6aR,6aS,6bR,9R,10S,12aR,14bR)-10-[(2S,3R,4R,5R)-5-[(2S,3R,4R,5S,6S)-4-[(2S,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-3,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-3,4-dihydroxy-tetrahydropyran-2-yl]oxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate

• SMILES

  O=C(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@]%103[C@@H](/C2=C/C[C@H]9[C@](C)([C@]2(C)CC3)CCC8[C@]9(C)CC[C@H](O[C@@H]7OC[C@@H](O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)[C@H]5O)[C@H]6O)[C@H](O)[C@H]7O)[C@@]8(C)CO)CC(C)(C)CC%10

• Std. InChi

  InChI=1S/C59H96O26/c1-24-34(63)39(68)42(71)49(77-24)84-47-38(67)29(21-61)80-52(45(47)74)83-46-35(64)25(2)78-51(44(46)73)81-30-22-76-48(41(70)37(30)66)82-33-12-13-55(5)31(56(33,6)23-62)11-14-58(8)32(55)10-9-26-27-19-54(3,4)15-17-59(27,18-16-57(26,58)7)53(75)85-50-43(72)40(69)36(65)28(20-60)79-50/h9,24-25,27-52,60-74H,10-23H2,1-8H3/t24-,25-,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-,52-,55-,56-,57+,58+,59-/m0/s1

• Std. InChIKey

  LLLRVZHJDGDVCN-IYKPASLOSA-N

• Cite this record

  CSID:8504438, http://www.chemspider.com/Chemical-Structure.8504438.html (accessed 12:45, Apr 29, 2024)