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#16;[2A-S-(3-ALPHA,4-BETA,4A-ALPHA,5-BETA,6-ALPHA,7A-ALPHA,7B-ALPHA)]-4,5-DIACETYLOXY-6-(ACETYLOXYMETHYL)-3,4,4A,5,6,7A,7B-HEPTAHYDRO-2A,3-OXIRENO-2H-1,7-DIOXA

View entire compound with spectra: 1 NMR, and 1 MS (GC)

#16;[2A-S-(3-ALPHA,4-BETA,4A-ALPHA,5-BETA,6-ALPHA,7A-ALPHA,7B-ALPHA)]-4,5-DIACETYLOXY-6-(ACETYLOXYMETHYL)-3,4,4A,5,6,7A,7B-HEPTAHYDRO-2A,3-OXIRENO-2H-1,7-DIOXA
SpectraBase Compound ID 7xEOO6tr16X
InChI InChI=1S/C16H20O9/c1-6(17)20-4-9-12(22-7(2)18)10-11-15(24-9)21-5-16(11)14(25-16)13(10)23-8(3)19/h9-15H,4-5H2,1-3H3/t9-,10+,11-,12-,13-,14+,15+,16-/m1/s1
InChIKey JDQRAIAJAHTBJX-VWSCZXQKSA-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 9yHYbUuBUQn
Name [2aS-(3.alpha.,4.beta.,4a.alpha.,5.beta.,7a.alpha.,7b.alpha.)]-4,5-(Diacetoxy)-6-[(acetoxy)methyl]-3,4,4a,5,6,7a,7b-heptahydro-2a,3-oxireno-2H-1,7dioxacyclopenta[cd]indene
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)20-4-9-12(22-7(2)18)10-11-15(24-9)21-5-16(11)14(25-16)13(10)23-8(3)19/h9-15H,4-5H2,1-3H3/t9-,10+,11-,12-,13-,14+,15+,16-/m1/s1
InChIKey JDQRAIAJAHTBJX-VWSCZXQKSA-N
Molecular Weight 356.327 g/mol
SMILES [C@]123[C@]([C@](OC(=O)C)([C@]4([C@@]3([C@](O[C@](COC(=O)C)([C@]4(OC(=O)C)[H])[H])(OC2)[H])[H])[H])[H])(O1)[H]
SPLASH splash10-0006-9100000000-c9620b1850254adf0a7e
Source of Spectrum J-64-8309-16
Wiley ID 1531427