β-D-Xylopyranosyl-(1->4)-6-deoxy-3-O-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-α-L-mannopyranosyl-(1->2)-1-O-[(2β,3β,5ξ,9ξ)-3-(β-D-glucopyranuronosyloxy)-2,23- dihydroxy-23,28-dioxoolean-12-en-28-yl]-α-L-arabinopyranose

More details:

• Systematic name

  (2S,3S,4S,5R,6R)-6-[[(2S,3R,4S,6aR,6bS,8aS,12aS,14bR)-4-carboxy-8a-[(2S,3R,4S,5S)-3-[(2S,3R,4S,5S,6S)-4-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydrofuran-2-yl]oxy-3-hydroxy-6-methyl-5-[(2S,3R,4S,5R)-3,4,5-trihydroxytetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-4,5-dihydroxy-tetrahydropyran-2-yl]oxycarbonyl-2-hydroxy-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4,5-trihydroxy-tetrahydropyran-2-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]2OC(=O)[C@@]34CC[C@@]5(C(=CCC6[C@]5(CCC7[C@@]6(C[C@@H]([C@@H]([C@@]7(C)C(=O)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)C(=O)O)O)O)O)O)C)C)[C@@H]3CC(CC4)(C)C)C)O)O)O)O[C@H]9[C@@H]([C@](CO9)(CO)O)O)O[C@H]1[C@@H]([C@H]([C@@H](CO1)O)O)O

• Std. InChi

  InChI=1S/C57H88O28/c1-22-37(80-44-34(66)30(62)26(60)18-76-44)38(81-48-41(69)57(75,20-58)21-78-48)36(68)46(79-22)83-40-31(63)27(61)19-77-47(40)85-50(74)56-14-12-51(2,3)16-24(56)23-8-9-28-52(4)17-25(59)42(84-45-35(67)32(64)33(65)39(82-45)43(70)71)55(7,49(72)73)29(52)10-11-54(28,6)53(23,5)13-15-56/h8,22,24-42,44-48,58-69,75H,9-21H2,1-7H3,(H,70,71)(H,72,73)/t22-,24-,25-,26+,27-,28?,29?,30-,31-,32-,33-,34+,35+,36+,37-,38-,39-,40+,41-,42-,44-,45-,46-,47-,48-,52+,53+,54+,55-,56-,57+/m0/s1

• Std. InChIKey

  MOBNVBHCGSZLDY-VBYBTYMUSA-N

• Cite this record

  CSID:71044124, http://www.chemspider.com/Chemical-Structure.71044124.html (accessed 23:52, Apr 25, 2024)