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SPINOSIDE D3
SpectraBase Compound ID 3Unu5qGOnsr
InChI InChI=1S/C48H76O20/c1-21-29(52)31(54)34(57)39(64-21)67-37-24(18-49)65-38(36(59)33(37)56)63-19-25-30(53)32(55)35(58)40(66-25)68-42(62)48-15-13-43(2,41(60)61)17-23(48)22-7-8-27-44(3)11-10-28(51)45(4,20-50)26(44)9-12-47(27,6)46(22,5)14-16-48/h7,21,23-40,49-59H,8-20H2,1-6H3,(H,60,61)/t21-,23?,24-,25-,26?,27?,28-,29-,30-,31+,32+,33-,34+,35-,36-,37-,38?,39+,40+,43-,44+,45+,46+,47-,48+/m0/s1
InChIKey IDGBFYVSNABVRJ-ZTVPPMTCSA-N
Mol Weight 973.1 g/mol
Molecular Formula C48H76O20
Exact Mass 972.492995 g/mol
Enantiomer InChIKey IDGBFYVSNABVRJ-CELOQHPISA-N
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