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#17;SYRIACOSIDE-M;IKEMAGENIN-3-O-BETA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-OLEANDROPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANOSYL-(1->4)-BETA-D-DIGITOXOPYRANOSIDE-BE
SpectraBase Compound ID BVnFRwh88Tw
InChI InChI=1S/C62H92O23/c1-30(64)38-19-22-62(72)60(38,7)45(81-46(67)16-15-35-13-11-10-12-14-35)28-44-59(6)20-18-37(23-36(59)17-21-61(44,62)71)79-47-24-39(65)54(31(2)75-47)82-48-25-40(66)55(32(3)76-48)83-49-26-41(73-8)56(33(4)77-49)84-50-27-42(74-9)57(34(5)78-50)85-58-53(70)52(69)51(68)43(29-63)80-58/h10-17,31-34,37-45,47-58,63,65-66,68-72H,18-29H2,1-9H3/b16-15+/t31-,32+,33-,34+,37+,38+,39+,40-,41+,42+,43-,44-,45-,47-,48-,49+,50-,51-,52+,53-,54+,55+,56-,57+,58+,59+,60+,61+,62-/m1/s1
InChIKey LKYJPPBYGSUYGF-MVCCNCEXSA-N
Mol Weight 1205.4 g/mol
Molecular Formula C62H92O23
Exact Mass 1204.602939 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID B1W49Mi1o9V
Name #17;SYRIACOSIDE-M;IKEMAGENIN-3-O-BETA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-OLEANDROPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANOSYL-(1->4)-BETA-D-DIGITOXOPYRANOSIDE-BE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C62H92O23
InChI InChI=1S/C62H92O23/c1-30(64)38-19-22-62(72)60(38,7)45(81-46(67)16-15-35-13-11-10-12-14-35)28-44-59(6)20-18-37(23-36(59)17-21-61(44,62)71)79-47-24-39(65)54(31(2)75-47)82-48-25-40(66)55(32(3)76-48)83-49-26-41(73-8)56(33(4)77-49)84-50-27-42(74-9)57(34(5)78-50)85-58-53(70)52(69)51(68)43(29-63)80-58/h10-17,31-34,37-45,47-58,63,65-66,68-72H,18-29H2,1-9H3/b16-15+/t31-,32+,33-,34+,37+,38+,39+,40-,41+,42+,43-,44-,45-,47-,48-,49+,50-,51-,52+,53-,54+,55+,56-,57+,58+,59+,60+,61+,62-/m1/s1
InChIKey LKYJPPBYGSUYGF-MVCCNCEXSA-N
Literature Reference Author T.WARASHINA,T.NORO
Literature Reference Citation CHEM.PHARM.BULL.,57,177(2009)
Literature Reference DOI 10.1248/cpb.57.177
Molecular Weight 1205.399 g/mol
Sample ID 2250
Solvent C5D5N