John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=A2kyOVQgKnK SpectraBase Spectrum ID=BtIxQfAIyVV

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ETHYL_AMYGDALINATE

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ETHYL_AMYGDALINATE
SpectraBase Compound ID A2kyOVQgKnK
InChI InChI=1S/C22H32O13/c1-2-31-20(30)19(10-6-4-3-5-7-10)35-22-18(29)16(27)14(25)12(34-22)9-32-21-17(28)15(26)13(24)11(8-23)33-21/h3-7,11-19,21-29H,2,8-9H2,1H3/t11-,12+,13-,14+,15+,16-,17-,18+,19-,21-,22-/m1/s1
InChIKey FHEGHWWLQLFYEI-ZOZGRHPDSA-N
Mol Weight 504.5 g/mol
Molecular Formula C22H32O13
Exact Mass 504.184292 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BtIxQfAIyVV
Name ETHYL_AMYGDALINATE
Compound Number 6
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H32O13
InChI InChI=1S/C22H32O13/c1-2-31-20(30)19(10-6-4-3-5-7-10)35-22-18(29)16(27)14(25)12(34-22)9-32-21-17(28)15(26)13(24)11(8-23)33-21/h3-7,11-19,21-29H,2,8-9H2,1H3/t11-,12+,13-,14+,15+,16-,17-,18+,19-,21-,22-/m1/s1
InChIKey FHEGHWWLQLFYEI-ZOZGRHPDSA-N
Literature Reference Author X.Y.CHEN,H.Q.WANG,T.ZHANG,C.LIU,J.KANG,R.Y.CHEN,D.Q.YU
Literature Reference Citation J.NAT.PROD.,76,1528(2013)
Literature Reference DOI 10.1021/np4000922
Molecular Weight 504.488 g/mol
Solvent CD3OD
Source File Reference UWMZ43088
SpectraBase Batch ID 31zesDg1Eeg