John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=FK8AYRxIwP1 SpectraBase Spectrum ID=1K0lyjDPK7k

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SIMMONDSIN
SpectraBase Compound ID FK8AYRxIwP1
InChI InChI=1S/C16H25NO9/c1-23-9-5-8(7(3-4-17)11(19)15(9)24-2)25-16-14(22)13(21)12(20)10(6-18)26-16/h3,8-16,18-22H,5-6H2,1-2H3/b7-3-/t8-,9+,10+,11+,12+,13-,14+,15+,16+/m1/s1
InChIKey KURSRHBVYUACKS-WAIWTQGQSA-N
Mol Weight 375.37 g/mol
Molecular Formula C16H25NO9
Exact Mass 375.152932 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1K0lyjDPK7k
Name SIMMONDSIN
Compound Number 1
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H25NO9
InChI InChI=1S/C16H25NO9/c1-23-9-5-8(7(3-4-17)11(19)15(9)24-2)25-16-14(22)13(21)12(20)10(6-18)26-16/h3,8-16,18-22H,5-6H2,1-2H3/b7-3-/t8-,9+,10+,11+,12+,13-,14+,15+,16+/m1/s1
InChIKey KURSRHBVYUACKS-WAIWTQGQSA-N
Literature Reference Author L.R.SIMPOL,H.OTSUKA,K.OHTANI,R.KASAI,K.YAMASAKI
Literature Reference Citation PHYTOCHEM.,36,91(1994)
Literature Reference DOI 10.1016/S0031-9422(00)97019-5
Molecular Weight 375.376 g/mol
Solvent CD3OD
Source File Reference UWLU25838
SpectraBase Batch ID 5R4v1l1IKzK