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CAS 952304-73-3

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Olean-12-ene-16,21,22,28-tetrol, 3-[(O-6-deoxy-α-L-mannopyranosyl-(1→2)-O-β-D-glucopyranosyl-(1→4)-O-[β-D-glucopyranosyl-(1→2)]-β-D-arabinopyranosyl)oxy]-, 21-[(2Z)-2-methyl-1-oxo-2-butenoate], (16α,21β,22α)-

Formula:C58H94O24
InChI:InChI=1S/C58H94O24/c1-11-24(2)48(73)82-47-46(72)58(23-61)27(18-53(47,4)5)26-12-13-32-55(8)16-15-34(54(6,7)31(55)14-17-56(32,9)57(26,10)19-33(58)62)79-51-44(80-50-43(71)40(68)36(64)28(20-59)76-50)38(66)30(22-74-51)78-52-45(41(69)37(65)29(21-60)77-52)81-49-42(70)39(67)35(63)25(3)75-49/h11-12,25,27-47,49-52,59-72H,13-23H2,1-10H3/b24-11-/t25-,27-,28+,29+,30+,31-,32+,33+,34-,35-,36+,37+,38+,39+,40-,41-,42+,43+,44-,45+,46-,47-,49-,50-,51-,52-,55-,56+,57+,58-/m0/s1
InChI key:YBULXTHJWHUSPC-STIBGRFBSA-N
SMILES:C/C=C(/C)\C(=O)O[C@H]1[C@@H]([C@@]2([C@@H](C[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)O[C@H]6[C@H]([C@@H]([C@@H](CO6)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O[C@H]8[C@@H]([C@@H]([C@H]([C@@H](O8)C)O)O)O)O)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O)C)C)[C@@H]2CC1(C)C)C)O)CO)O
Synonyms:
  • Lysimachigenoside C
  • Olean-12-ene-16,21,22,28-tetrol, 3-[(O-6-deoxy-α-L-mannopyranosyl-(1→2)-O-β-D-glucopyranosyl-(1→4)-O-[β-D-glucopyranosyl-(1→2)]-β-D-arabinopyranosyl)oxy]-, 21-[(2Z)-2-methyl-1-oxo-2-butenoate], (16α,21β,22α)-
Found 2 products.