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IKEMAGENIN-3-O-BETA-D-OLEANDROPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANOSYL-(1->4)-BETA-D-DIGITOXOPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANOSIDE
SpectraBase Compound ID FndcXcjYg0b
InChI InChI=1S/C57H84O18/c1-30(58)38-20-23-57(63)55(38,7)44(72-45(60)17-16-35-14-12-11-13-15-35)29-43-54(6)21-19-37(24-36(54)18-22-56(43,57)62)71-47-27-41(65-9)52(33(4)69-47)74-46-25-39(59)51(32(3)68-46)73-49-28-42(66-10)53(34(5)70-49)75-48-26-40(64-8)50(61)31(2)67-48/h11-18,31-34,37-44,46-53,59,61-63H,19-29H2,1-10H3/b17-16+/t31-,32-,33+,34+,37-,38-,39+,40-,41-,42-,43+,44+,46+,47-,48+,49-,50-,51-,52+,53+,54-,55-,56-,57+/m0/s1
InChIKey ZBLGRGFTIAQRIW-NMTUSSLOSA-N
Mol Weight 1057.3 g/mol
Molecular Formula C57H84O18
Exact Mass 1056.565766 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EadEC5714Yv
Name IKEMAGENIN-3-O-BETA-D-OLEANDROPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANOSYL-(1->4)-BETA-D-DIGITOXOPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANOSIDE
Compound Number 20
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C57H84O18
InChI InChI=1S/C57H84O18/c1-30(58)38-20-23-57(63)55(38,7)44(72-45(60)17-16-35-14-12-11-13-15-35)29-43-54(6)21-19-37(24-36(54)18-22-56(43,57)62)71-47-27-41(65-9)52(33(4)69-47)74-46-25-39(59)51(32(3)68-46)73-49-28-42(66-10)53(34(5)70-49)75-48-26-40(64-8)50(61)31(2)67-48/h11-18,31-34,37-44,46-53,59,61-63H,19-29H2,1-10H3/b17-16+/t31-,32-,33+,34+,37-,38-,39+,40-,41-,42-,43+,44+,46+,47-,48+,49-,50-,51-,52+,53+,54-,55-,56-,57+/m0/s1
InChIKey ZBLGRGFTIAQRIW-NMTUSSLOSA-N
Literature Reference Author T.WARASHINA,T.NORO
Literature Reference Citation CHEM.PHARM.BULL.,48,516(2000)
Literature Reference DOI 10.1248/cpb.48.516
Molecular Weight 1057.283 g/mol
Solvent C5D5N
Source File Reference UWLU5035