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IKEMAGENIN-3-O-BETA-D-OLEANDROPYRANOSYL-(1->4)-BETA-D-DIGITOXOPYRANOSYL-(1->4)-BETA-D-OLEANDROPYRANOSYL-(1->4)-BETA-D-DIGITOXOPYRANOSIDE
SpectraBase Compound ID EiKP8iHV0d
InChI InChI=1S/C56H82O18/c1-29(57)37-19-22-56(63)54(37,7)43(71-44(60)16-15-34-13-11-10-12-14-34)28-42-53(6)20-18-36(23-35(53)17-21-55(42,56)62)70-45-24-38(58)50(31(3)67-45)73-48-27-41(65-9)52(33(5)69-48)74-46-25-39(59)51(32(4)68-46)72-47-26-40(64-8)49(61)30(2)66-47/h10-17,30-33,36-43,45-52,58-59,61-63H,18-28H2,1-9H3/b16-15+/t30-,31-,32-,33-,36-,37-,38+,39+,40-,41-,42+,43+,45+,46+,47+,48+,49-,50-,51-,52-,53-,54-,55-,56+/m0/s1
InChIKey SBZKGUOAXUUUQA-HHRAHSAKSA-N
Mol Weight 1043.3 g/mol
Molecular Formula C56H82O18
Exact Mass 1042.550116 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID R75B5Bm6St
Name IKEMAGENIN-3-O-BETA-D-OLEANDROPYRANOSYL-(1->4)-BETA-D-DIGITOXOPYRANOSYL-(1->4)-BETA-D-OLEANDROPYRANOSYL-(1->4)-BETA-D-DIGITOXOPYRANOSIDE
Compound Number 22
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C56H82O18
InChI InChI=1S/C56H82O18/c1-29(57)37-19-22-56(63)54(37,7)43(71-44(60)16-15-34-13-11-10-12-14-34)28-42-53(6)20-18-36(23-35(53)17-21-55(42,56)62)70-45-24-38(58)50(31(3)67-45)73-48-27-41(65-9)52(33(5)69-48)74-46-25-39(59)51(32(4)68-46)72-47-26-40(64-8)49(61)30(2)66-47/h10-17,30-33,36-43,45-52,58-59,61-63H,18-28H2,1-9H3/b16-15+/t30-,31-,32-,33-,36-,37-,38+,39+,40-,41-,42+,43+,45+,46+,47+,48+,49-,50-,51-,52-,53-,54-,55-,56+/m0/s1
InChIKey SBZKGUOAXUUUQA-HHRAHSAKSA-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 1043.256 g/mol
Solvent CDCl3
Source File Reference UWLU5037