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#7A;CALYSOLIC-ACID-B;(11S)-JALAPINOLIC-ACID-11-O-BETA-D-GLUCOPYRANOSYL-(1->3)-O-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-[O-BETA-D-GLUCOPYRANOSYL-(1->3)]-O-BETA-D-GLUCOP
SpectraBase Compound ID FuYlMOqHBx7
InChI InChI=1S/C46H82O26/c1-4-5-11-14-22(15-12-9-7-6-8-10-13-16-26(50)51)65-45-40(34(59)27(52)20(2)64-45)71-46-41(39(31(56)25(19-49)68-46)70-43-36(61)33(58)30(55)24(18-48)67-43)72-44-37(62)38(28(53)21(3)63-44)69-42-35(60)32(57)29(54)23(17-47)66-42/h20-25,27-49,52-62H,4-19H2,1-3H3,(H,50,51)/t20-,21+,22-,23-,24+,25-,27-,28+,29-,30+,31-,32+,33-,34+,35-,36+,37-,38-,39+,40-,41-,42+,43-,44+,45+,46+/m0/s1
InChIKey XPGZQJPYDSIFOF-MRBLAUOQSA-N
Mol Weight 1051.1 g/mol
Molecular Formula C46H82O26
Exact Mass 1050.509433 g/mol
Enantiomer InChIKey XPGZQJPYDSIFOF-PIKJGZTGSA-N
Unknown Identification

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