John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=2w0mkTayXei SpectraBase Spectrum ID=1J9Jpl2UzWw

(accessed ).
DELTA(16)-8-BETA-HYDROXYDIGITOXIGENIN-BETA-ODOROBIOSIDE
SpectraBase Compound ID 2w0mkTayXei
InChI InChI=1S/C36H54O14/c1-17-29(50-31-27(41)26(40)25(39)22(15-37)49-31)30(45-4)28(42)32(47-17)48-20-6-9-33(2)19(14-20)5-11-35(43)23(33)8-10-34(3)21(7-12-36(34,35)44)18-13-24(38)46-16-18/h7,13,17,19-20,22-23,25-32,37,39-44H,5-6,8-12,14-16H2,1-4H3/t17-,19-,20+,22+,23-,25+,26-,27+,28-,29+,30-,31-,32+,33+,34-,35+,36-/m1/s1
InChIKey GPVRQHPUUBOMSQ-BDXNPOKYSA-N
Mol Weight 710.8 g/mol
Molecular Formula C36H54O14
Exact Mass 710.351357 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1J9Jpl2UzWw
Name DELTA(16)-8-BETA-HYDROXYDIGITOXIGENIN-BETA-ODOROBIOSIDE
Compound Number 24
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C36H54O14
InChI InChI=1S/C36H54O14/c1-17-29(50-31-27(41)26(40)25(39)22(15-37)49-31)30(45-4)28(42)32(47-17)48-20-6-9-33(2)19(14-20)5-11-35(43)23(33)8-10-34(3)21(7-12-36(34,35)44)18-13-24(38)46-16-18/h7,13,17,19-20,22-23,25-32,37,39-44H,5-6,8-12,14-16H2,1-4H3/t17-,19-,20+,22+,23-,25+,26-,27+,28-,29+,30-,31-,32+,33+,34-,35+,36-/m1/s1
InChIKey GPVRQHPUUBOMSQ-BDXNPOKYSA-N
Literature Reference Author F.ABE,T.YAMAUCHI
Literature Reference Citation PHYTOCHEM.,31,2459(1992)
Literature Reference DOI 10.1016/0031-9422(92)83299-E
Molecular Weight 710.816 g/mol
Solvent C5D5N
Source File Reference UWLU28806
SpectraBase Batch ID 7hTJfHWepYY