(3β)-3-{[β-D-Glucopyranosyl-(1->4)-[β-D-glucopyranosyl-(1->4)-β-D-glucopyranosyl-(1->3)-6-deoxy-α-L-mannopyranosyl-(1->2)]-α-L-arabinopyranosyl]oxy}olean-12-en-28-oic acid

More details:

• Systematic name

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

• SMILES

  C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@H](CO[C@H]2O[C@H]3CC[C@]4([C@H](C3(C)C)CC[C@@]5([C@@H]4CC=C6[C@]5(CC[C@@]7([C@H]6CC(CC7)(C)C)C(=O)O)C)C)C)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O)O)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)O)O

• Std. InChi

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

• Std. InChIKey

  OIIUKDNESXXGGA-JNYGYAQVSA-N

• Cite this record

  CSID:8995496, http://www.chemspider.com/Chemical-Structure.8995496.html (accessed 07:08, Apr 23, 2024)