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BUDDLEJASAPONIN IV
SpectraBase Compound ID B7o6v79wrCT
InChI InChI=1S/C48H78O18/c1-22-30(53)37(65-39-35(58)33(56)31(54)23(18-49)62-39)38(66-40-36(59)34(57)32(55)24(19-50)63-40)41(61-22)64-29-10-11-43(4)25(44(29,5)20-51)8-12-45(6)26(43)9-13-48-27-16-42(2,3)14-15-47(27,21-60-48)28(52)17-46(45,48)7/h9,13,22-41,49-59H,8,10-12,14-21H2,1-7H3/t22-,23-,24+,25+,26+,27+,28-,29-,30+,31-,32+,33+,34-,35-,36+,37+,38-,39+,40-,41+,43-,44-,45+,46-,47+,48-/m0/s1
InChIKey IRJDRINEGANBIK-QKRWGUBBSA-N
Mol Weight 943.1 g/mol
Molecular Formula C48H78O18
Exact Mass 942.518816 g/mol
Enantiomer InChIKey IRJDRINEGANBIK-KBLOKULGSA-N
Unknown Identification

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