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#13;[1-R-(1-ALPHA,3-ALPHA,4-BETA,4A-ALPHA,5-BETA,6-ALPHA,7A-ALPHA)]-4,5-DIACETOXY-7B-(ACETYLOXYMETHYL)-1,3-EPOXYMETHANE-3,4,4A,5,6,7A-HEXAHYDRO-6,7-OXIRENO-CYC
SpectraBase Compound ID 9Qd2NyyevWQ
InChI InChI=1S/C16H20O9/c1-6(17)21-5-16-11-10(13(14(16)25-16)23-8(3)19)12(22-7(2)18)9-4-20-15(11)24-9/h9-15H,4-5H2,1-3H3/t9-,10+,11-,12-,13-,14+,15-,16-/m1/s1
InChIKey HZPUQYKLABRBKD-NZZARTGWSA-N
Mol Weight 356.33 g/mol
Molecular Formula C16H20O9
Exact Mass 356.110732 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 56fL37FtSIa
Name [1R-(1.alpha.,3.alpha.,4.beta.,4a.alpha.,5.beta.,6.alpha.,7a.alpha.,7b.alpha.)]-4,5-(Diacetoxy)-7b-[(acetoxy)methyl]-1,3-(epoxymethane)-3,4,4a,5,6,7a-hexahydro-6,7-oxirenocyclopenta[c]pyran
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H20O9
InChI InChI=1S/C16H20O9/c1-6(17)21-5-16-11-10(13(14(16)25-16)23-8(3)19)12(22-7(2)18)9-4-20-15(11)24-9/h9-15H,4-5H2,1-3H3/t9-,10+,11-,12-,13-,14+,15-,16-/m1/s1
InChIKey HZPUQYKLABRBKD-NZZARTGWSA-N
Molecular Weight 356.327 g/mol
SMILES [C@]12([C@]([C@](OC(=O)C)([C@]3([C@@]2([C@]2(O[C@](CO2)([C@]3(OC(=O)C)[H])[H])[H])[H])[H])[H])(O1)[H])COC(=O)C
SPLASH splash10-0006-9040000000-d7484d96537b04169ca3
Source of Spectrum J-64-8309-13
Wiley ID 1531429