(3β,16β)-3-{[6-Deoxy-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-18,2 0-epoxylanosta-9(11),25-diene-16,22-diyl diacetate

More details:

• Systematic name

  (3beta,16beta)-3-{[6-Deoxy-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-18,2 0-epoxylanosta-9(11),25-diene-16,22-diyl diacetate

• SMILES

  C[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2CO[C@H]([C@@H]([C@H]2O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C)O[C@H]4[C@@H]([C@H]([C@@H](CO4)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)OC)O)O)O)O)O[C@H]6CC[C@]7([C@H](C6(C)C)CC[C@@H]8C7=CC[C@@]91[C@]8(C[C@@H]([C@@H]9[C@](OC1=O)(C)C(CCC(=C)C)OC(=O)C)OC(=O)C)C)C)O)O)O

• Std. InChi

  InChI=1S/C63H98O28/c1-25(2)13-16-38(84-29(6)66)62(11)52-33(83-28(5)65)21-61(10)31-14-15-36-59(7,8)37(18-19-60(36,9)30(31)17-20-63(52,61)58(77)91-62)87-57-51(41(70)35(24-80-57)86-54-44(73)42(71)39(68)26(3)81-54)90-55-45(74)43(72)48(27(4)82-55)88-53-46(75)49(32(67)23-79-53)89-56-47(76)50(78-12)40(69)34(22-64)85-56/h17,26-27,31-57,64,67-76H,1,13-16,18-24H2,2-12H3/t26-,27-,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+,60-,61+,62+,63-/m1/s1

• Std. InChIKey

  RQPWXFUNRJAKIR-RSNACXHVSA-N

• Cite this record

  CSID:44210745, http://www.chemspider.com/Chemical-Structure.44210745.html (accessed 16:33, Jun 1, 2024)