(3β,16β)-22-Hydroxy-3-{[3-O-methyl-β-D-glucopyranosyl-(1->3)-β-D-glucopyranosyl-(1->4)-[3-O-methyl-β-D-glucopyranosyl-(1->3)-β-D-xylopyranosyl-(1->4)-6-deoxy-β-D-glucopyranosyl-(1 ->2)]-β-D-xylopyranosyl]oxy}-18-oxo-18,20-epoxylanosta-9(11),25-dien-16-yl acetate

More details:

• Systematic name

  (3beta,16beta)-22-Hydroxy-3-{[3-O-methyl-beta-D-glucopyranosyl-(1->3)-beta-D-glucopyranosyl-(1->4)-[3-O-methyl-beta-D-glucopyranosyl-(1->3)-beta-D-xylopyranosyl-(1->4)-6-deoxy-beta-D-glucopyranosyl-(1 ->2)]-beta-D-xylopyranosyl]oxy}-18-oxo-18,20-epoxylanosta-9(11),25-dien-16-yl acetate

• 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@@H]5C4=CC[C@@]67[C@]5(C[C@@H]([C@@H]6[C@](OC7=O)(C)C(CCC(=C)C)O)OC(=O)C)C)C)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)OC)O)O)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H](CO1)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)OC)O)O

• Std. InChi

  InChI=1S/C68H108O33/c1-26(2)12-15-38(74)67(9)56-32(91-28(4)72)20-66(8)30-13-14-37-64(5,6)39(17-18-65(37,7)29(30)16-19-68(56,66)63(85)101-67)96-62-55(43(78)36(25-89-62)95-59-49(84)54(42(77)35(23-71)92-59)99-61-48(83)53(87-11)41(76)34(22-70)94-61)100-58-45(80)44(79)50(27(3)90-58)97-57-46(81)51(31(73)24-88-57)98-60-47(82)52(86-10)40(75)33(21-69)93-60/h16,27,30-62,69-71,73-84H,1,12-15,17-25H2,2-11H3/t27-,30-,31-,32+,33-,34-,35-,36-,37+,38?,39+,40-,41-,42-,43+,44-,45-,46-,47-,48-,49-,50-,51+,52+,53+,54+,55-,56-,57+,58+,59+,60+,61+,62+,65-,66+,67+,68-/m1/s1

• Std. InChIKey

  ROWJGEDMFPSCCB-RGFQRXGBSA-N

• Cite this record

  CSID:44210741, http://www.chemspider.com/Chemical-Structure.44210741.html (accessed 12:55, Jun 15, 2024)