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#1;CALYSOLIN-X;11S-JALAPINOLIC-ACID-11-O-[2-O-(2S,3S)-NILOYL,4-O-TIGLOYL]-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-[O-BETA-D-GLUCOPYRANOSYL-(1->3)]-O-BETA-D-GLUCOPYRANOS
SpectraBase Compound ID God8cvYRtVV
InChI InChI=1S/C50H84O23/c1-8-10-16-19-29-20-17-14-12-11-13-15-18-21-32(54)68-41-37(59)34(56)30(22-51)66-49(41)71-40-35(57)31(23-52)67-50(72-42-36(58)33(55)27(6)63-47(42)65-29)44(40)73-48-43(70-46(62)25(4)26(5)53)38(60)39(28(7)64-48)69-45(61)24(3)9-2/h9,25-31,33-44,47-53,55-60H,8,10-23H2,1-7H3/b24-9+/t25-,26-,27-,28+,29-,30-,31+,33-,34-,35+,36+,37+,38-,39+,40-,41-,42-,43-,44+,47+,48+,49+,50-/m0/s1
InChIKey SPLJKFYMRNFULI-FZQUDEEZSA-N
Mol Weight 1053.2 g/mol
Molecular Formula C50H84O23
Exact Mass 1052.540339 g/mol
Enantiomer InChIKey SPLJKFYMRNFULI-XWPIIFNFSA-N
Unknown Identification

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