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12-O-TIGLOYLISOLINEOLON-3-O-BETA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-OLEANDROPYRANOSYL-(1->4)-BETA-D-DIGITOXOPYRANOSYL-(1->4)-BETA-D-DIGITOXOPYR
SpectraBase Compound ID GBwCpl98wcm
InChI InChI=1S/C58H92O23/c1-12-26(2)53(66)77-41-24-40-55(8)16-14-33(19-32(55)13-17-57(40,67)58(68)18-15-34(27(3)60)56(41,58)9)75-44-22-37(69-10)51(30(6)73-44)80-43-21-36(62)49(28(4)72-43)78-42-20-35(61)50(29(5)71-42)79-45-23-38(70-11)52(31(7)74-45)81-54-48(65)47(64)46(63)39(25-59)76-54/h12-13,28-31,33-52,54,59,61-65,67-68H,14-25H2,1-11H3/b26-12+/t28-,29-,30+,31-,33-,34+,35+,36+,37-,38-,39+,40+,41+,42+,43+,44-,45+,46+,47-,48+,49-,50-,51+,52-,54-,55-,56-,57-,58+/m0/s1
InChIKey BPRSZYIBALLGOU-SWMDAEBDSA-N
Mol Weight 1157.4 g/mol
Molecular Formula C58H92O23
Exact Mass 1156.602939 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6ko8w5aB1n8
Name 12-O-TIGLOYLISOLINEOLON-3-O-BETA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-OLEANDROPYRANOSYL-(1->4)-BETA-D-DIGITOXOPYRANOSYL-(1->4)-BETA-D-DIGITOXOPYR
Compound Number 12
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C58H92O23
InChI InChI=1S/C58H92O23/c1-12-26(2)53(66)77-41-24-40-55(8)16-14-33(19-32(55)13-17-57(40,67)58(68)18-15-34(27(3)60)56(41,58)9)75-44-22-37(69-10)51(30(6)73-44)80-43-21-36(62)49(28(4)72-43)78-42-20-35(61)50(29(5)71-42)79-45-23-38(70-11)52(31(7)74-45)81-54-48(65)47(64)46(63)39(25-59)76-54/h12-13,28-31,33-52,54,59,61-65,67-68H,14-25H2,1-11H3/b26-12+/t28-,29-,30+,31-,33-,34+,35+,36+,37-,38-,39+,40+,41+,42+,43+,44-,45+,46+,47-,48+,49-,50-,51+,52-,54-,55-,56-,57-,58+/m0/s1
InChIKey BPRSZYIBALLGOU-SWMDAEBDSA-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 1157.355 g/mol
Solvent C5D5N
Source File Reference UWLU5027