John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=DwiVgFJaUgW SpectraBase Spectrum ID=11glKnhAjd1

(accessed ).
SUBLANCEOSIDE-K1
SpectraBase Compound ID DwiVgFJaUgW
InChI InChI=1S/C54H84O19/c1-25-32(16-17-63-25)33-14-15-35-34(49(33)58)13-12-31-18-38(37(56)24-54(31,35)7)69-44-21-40(60-9)52(28(4)66-44)73-47-23-42(62-11)51(29(5)68-47)71-43-19-36(55)50(27(3)65-43)70-46-22-41(61-10)53(30(6)67-46)72-45-20-39(59-8)48(57)26(2)64-45/h12,16-17,26-30,33-48,50-53,55-57H,13-15,18-24H2,1-11H3/t26-,27+,28+,29+,30-,33-,34-,35+,36-,37-,38-,39+,40-,41+,42-,43-,44-,45-,46+,47+,48-,50+,51-,52+,53-,54+/m1/s1
InChIKey VKNJQJSHZVCRKD-ORRZJHRRSA-N
Mol Weight 1037.2 g/mol
Molecular Formula C54H84O19
Exact Mass 1036.560681 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 11glKnhAjd1
Name SUBLANCEOSIDE-K1
Compound Number 29
Copyright Copyright © 2016-2020 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C54H84O19
InChI InChI=1S/C54H84O19/c1-25-32(16-17-63-25)33-14-15-35-34(49(33)58)13-12-31-18-38(37(56)24-54(31,35)7)69-44-21-40(60-9)52(28(4)66-44)73-47-23-42(62-11)51(29(5)68-47)71-43-19-36(55)50(27(3)65-43)70-46-22-41(61-10)53(30(6)67-46)72-45-20-39(59-8)48(57)26(2)64-45/h12,16-17,26-30,33-48,50-53,55-57H,13-15,18-24H2,1-11H3/t26-,27+,28+,29+,30-,33-,34-,35+,36-,37-,38-,39+,40-,41+,42-,43-,44-,45-,46+,47+,48-,50+,51-,52+,53-,54+/m1/s1
InChIKey VKNJQJSHZVCRKD-ORRZJHRRSA-N
Literature Reference Author T.WARASHINA,T.NORO
Literature Reference Citation CHEM.PHARM.BULL.,54,1551(2006)
Literature Reference DOI 10.1248/cpb.54.1551
Molecular Weight 1037.250 g/mol
Sample ID 55394
Solvent C5D5N
SpectraBase Batch ID GqMwMRgNydW