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#7;[2A-R-(4-BETA,4A-ALPHA,5-BETA,6-ALPHA,7A-ALPHA,7B-BETA)]-4,5-DIACETYLOXY-6-(ACETYLOXYMETHYL)-2A,3,4,4A,5,6,7A,7B-OCTAHYDRO-2H-1,7-DIOXACYCLOPENT-[CD]-INDENE
SpectraBase Compound ID FltuSAft4L2
InChI InChI=1S/C16H22O8/c1-7(17)20-6-12-15(23-9(3)19)14-11(22-8(2)18)4-10-5-21-16(24-12)13(10)14/h10-16H,4-6H2,1-3H3/t10-,11-,12+,13+,14-,15+,16-/m0/s1
InChIKey GIXSNOAEEHRTLI-DUMGAFKDSA-N
Mol Weight 342.34 g/mol
Molecular Formula C16H22O8
Exact Mass 342.131468 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GjZA0V81385
Name [2aR-(4.beta.,4a.alpha.,5.beta.,6.alpha.,7a.alpha.,7b.alpha.)]-4,5-(Diacetoxy)-6-[(acetroxy)methyl]-2a,3,4,5,6,7a,7b-octahydro-2H-1,7-dioxacyclopent[cd]indene
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H22O8
InChI InChI=1S/C16H22O8/c1-7(17)20-6-12-15(23-9(3)19)14-11(22-8(2)18)4-10-5-21-16(24-12)13(10)14/h10-16H,4-6H2,1-3H3/t10-,11-,12+,13+,14-,15+,16-/m0/s1
InChIKey GIXSNOAEEHRTLI-DUMGAFKDSA-N
Molecular Weight 342.344 g/mol
SMILES [C@@]12([C@@]([C@@](COC(=O)C)(O[C@]3([C@@]2([C@@](CO3)([H])C[C@@]1(OC(=O)C)[H])[H])[H])[H])(OC(=O)C)[H])[H]
SPLASH splash10-0006-9010000000-0a8ff58af18e2a5bdccd
Source of Spectrum J-64-8309-7
Wiley ID 1531433