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

More details:

• Systematic name

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

• SMILES

  O=C(O)[C@H]9O[C@@H](O[C@H]4CC[C@]3(C)C5C/C=C2/C1CC(C)(C)CC[C@]1(CO)[C@H](O)C[C@@]2(C)[C@]5(C)CCC3C4(C)C)[C@H](O[C@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)[C@@H](O)[C@H]9O[C@@H]8O[C@H](CO[C@@H]7O[C@@H]([C@@H](O)[C@H](O)[C@H]7O)CO)[C@H](O)[C@H](O)[C@H]8O

• Std. InChi

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

• Std. InChIKey

  LDPKDIVFHXKSCE-PFUMWKAUSA-N

• Cite this record

  CSID:8526671, http://www.chemspider.com/Chemical-Structure.8526671.html (accessed 11:02, Jun 2, 2024)