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[4A-S-(4A-ALPHA,5-BETA,6-ALPHA,7A-ALPHA,7B-BETA)]-5-ACETYLOXY-6-ACETYLOXYMETHYL-5,6,7A,7B-TETRAHYDRO-2H-1,7-DIOXACYCLOPENT-[CD]-INDEN-4-(4A-H)-ONE

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

[4A-S-(4A-ALPHA,5-BETA,6-ALPHA,7A-ALPHA,7B-BETA)]-5-ACETYLOXY-6-ACETYLOXYMETHYL-5,6,7A,7B-TETRAHYDRO-2H-1,7-DIOXACYCLOPENT-[CD]-INDEN-4-(4A-H)-ONE
SpectraBase Compound ID 9rlCs6DS8je
InChI InChI=1S/C14H16O7/c1-6(15)18-5-10-13(20-7(2)16)12-9(17)3-8-4-19-14(21-10)11(8)12/h3,10-14H,4-5H2,1-2H3/t10-,11-,12+,13-,14+/m1/s1
InChIKey MOONENKAIYEQFX-RGDJUOJXSA-N
Mol Weight 296.28 g/mol
Molecular Formula C14H16O7
Exact Mass 296.089603 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5jmaQ3TSLBv
Name [4aS-(4a.alpha.,5.beta.,6.alpha.,7a.alpha.,7b.alpha.)]-5-(Acetyloxy)-6-[(acetyloxy)methyl]-5,6,7a,7b-tetrahydro-2H-1,7-dioxacyclopent[cd]inden-4(4aH)-one
Alternate Name(s) (4aS,5S,6R,7aS,7bS)-6-[(acetyloxy)methyl]-4-oxo-4,4a,5,6,7a,7b-hexahydro-2H-1,7-dioxacyclopenta[cd]inden-5-yl acetate
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H16O7
InChI InChI=1S/C14H16O7/c1-6(15)18-5-10-13(20-7(2)16)12-9(17)3-8-4-19-14(21-10)11(8)12/h3,10-14H,4-5H2,1-2H3/t10-,11-,12+,13-,14+/m1/s1
InChIKey MOONENKAIYEQFX-RGDJUOJXSA-N
Molecular Weight 296.275 g/mol
SMILES [C@@]12([C@@]([C@@](COC(=O)C)(O[C@]3([C@@]2(C(CO3)=CC1=O)[H])[H])[H])(OC(=O)C)[H])[H]
SPLASH splash10-0006-9010000000-be5a0326cc48f804df43
Source of Spectrum J-64-8308-2
Wiley ID 1531436