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CAS 208764-53-8: Quinquenoside III

Formula:C50H84O19
InChI:InChI=1S/C50H84O19/c1-23(2)11-10-15-50(9,69-44-41(62)38(59)35(56)28(21-52)65-44)25-12-17-49(8)33(25)26(54)19-31-47(6)16-14-32(46(4,5)30(47)13-18-48(31,49)7)67-45-42(39(60)36(57)29(66-45)22-63-24(3)53)68-43-40(61)37(58)34(55)27(20-51)64-43/h11,25-45,51-52,54-62H,10,12-22H2,1-9H3/t25-,26+,27+,28+,29+,30-,31+,32-,33-,34+,35+,36+,37-,38-,39-,40+,41+,42+,43-,44-,45-,47-,48+,49+,50-/m0/s1
InChI key:InChIKey=PXHNTRFQGHWVGX-ZQQZZLNPSA-N
SMILES:C[C@]12[C@@]3(C)[C@@]([C@]4(C)[C@@](CC3)(C(C)(C)[C@@H](O[C@H]5[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@@H](O)[C@H](O)[C@@H](COC(C)=O)O5)CC4)[H])(C[C@@H](O)[C@@]1([C@@]([C@@](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)(CCC=C(C)C)C)(CC2)[H])[H])[H]
Synonyms:
  • Quinquenoside III
  • β-D-Glucopyranoside, (3β,12β)-20-(β-D-glucopyranosyloxy)-12-hydroxydammar-24-en-3-yl 2-O-β-D-glucopyranosyl-, 6-acetate
  • QuinquenosideIII
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