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12-O-NICOTINOYLLINEOLON-3-O-BETA-D-[GLUCOPYRANOSYL-(1->4)-OLEANDROPYRANOSYL-(1->4)-DIGITOXOPYRANOSYL-(1->4)-DIGITOXOPYRANOSYL-(1->4)-CYMARO
SpectraBase Compound ID HURZfqawbP7
InChI InChI=1S/C59H89NO23/c1-27(62)35-14-17-59(70)57(35,7)42(79-54(68)32-11-10-18-60-25-32)24-41-56(6)15-13-34(19-33(56)12-16-58(41,59)69)77-45-22-38(71-8)52(30(4)75-45)82-44-21-37(64)50(28(2)74-44)80-43-20-36(63)51(29(3)73-43)81-46-23-39(72-9)53(31(5)76-46)83-55-49(67)48(66)47(65)40(26-61)78-55/h10-12,18,25,28-31,34-53,55,61,63-67,69-70H,13-17,19-24,26H2,1-9H3/t28-,29-,30+,31-,34-,35-,36+,37+,38-,39-,40+,41+,42+,43+,44+,45-,46+,47+,48-,49+,50-,51-,52+,53-,55-,56-,57-,58-,59+/m0/s1
InChIKey IQDIAXAEBOLMKZ-JUCWVXJOSA-N
Mol Weight 1180.3 g/mol
Molecular Formula C59H89NO23
Exact Mass 1179.582538 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID G5DiLPeIzU5
Name 12-O-NICOTINOYLLINEOLON-3-O-BETA-D-[GLUCOPYRANOSYL-(1->4)-OLEANDROPYRANOSYL-(1->4)-DIGITOXOPYRANOSYL-(1->4)-DIGITOXOPYRANOSYL-(1->4)-CYMARO
Compound Number 28
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C59H89NO23
InChI InChI=1S/C59H89NO23/c1-27(62)35-14-17-59(70)57(35,7)42(79-54(68)32-11-10-18-60-25-32)24-41-56(6)15-13-34(19-33(56)12-16-58(41,59)69)77-45-22-38(71-8)52(30(4)75-45)82-44-21-37(64)50(28(2)74-44)80-43-20-36(63)51(29(3)73-43)81-46-23-39(72-9)53(31(5)76-46)83-55-49(67)48(66)47(65)40(26-61)78-55/h10-12,18,25,28-31,34-53,55,61,63-67,69-70H,13-17,19-24,26H2,1-9H3/t28-,29-,30+,31-,34-,35-,36+,37+,38-,39-,40+,41+,42+,43+,44+,45-,46+,47+,48-,49+,50-,51-,52+,53-,55-,56-,57-,58-,59+/m0/s1
InChIKey IQDIAXAEBOLMKZ-JUCWVXJOSA-N
Literature Reference Author T.WARASHINA,T.NORO
Literature Reference Citation PHYTOCHEM.,53,485(2000)
Literature Reference DOI 10.1016/S0031-9422(99)00560-9
Molecular Weight 1180.349 g/mol
Solvent C5D5N
Source File Reference UWLU2049