(2S,3S,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,8aR,9R,11R,12aS,14aR,14bR)-9-hydroxy-11-(hydroxymethyl)-4,4,6a,6b,8a,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4-dihydroxy-5-[(2S,3R,4S,5S,6R)-5-hydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-carboxylic acid

More details:

• Systematic name

  (2S,3S,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,8aR,9R,11R,12aS,14aR,14bR)-9-hydroxy-11-(hydroxymethyl)-4,4,6a,6b,8a,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4-dihydroxy-5-[(2S,3R,4S,5S,6R)-5-hydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-carboxylic acid

• SMILES

  O=C(O)[C@H]9O[C@@H](O[C@H]4CC[C@]3(C)[C@H]5C/C=C2/[C@@H]1C[C@@](C)(CO)C[C@@H](O)[C@]1(C)CC[C@@]2(C)[C@]5(C)CC[C@H]3C4(C)C)[C@H](O[C@@H]8O[C@H](CO)[C@H](O)[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@H]8O[C@@H]7O[C@H]([C@H](O)[C@@H](O)[C@H]7O)C)[C@@H](O)[C@@H]9O

• Std. InChi

  InChI=1S/C54H88O23/c1-22-31(59)34(62)38(66)45(70-22)77-43-40(74-46-39(67)35(63)32(60)25(19-55)71-46)33(61)26(20-56)72-48(43)76-42-37(65)36(64)41(44(68)69)75-47(42)73-30-12-13-52(6)27(49(30,2)3)11-14-54(8)28(52)10-9-23-24-17-50(4,21-57)18-29(58)51(24,5)15-16-53(23,54)7/h9,22,24-43,45-48,55-67H,10-21H2,1-8H3,(H,68,69)/t22-,24-,25+,26+,27-,28+,29+,30-,31-,32+,33-,34+,35-,36-,37-,38+,39+,40-,41-,42+,43+,45-,46-,47+,48-,50+,51+,52-,53+,54+/m0/s1

• Std. InChIKey

  LYILTWMZVPZTHO-JMKWHCJZSA-N

• Cite this record

  CSID:8685790, http://www.chemspider.com/Chemical-Structure.8685790.html (accessed 18:07, Jun 17, 2024)