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[4-S-(4A-ALPHA,5-BETA,6-ALPHA,7A-ALPHA,7B-BETA)]-4,5-DIACETYLOXY-6-(ACETYLOXYMETHYL)-4,4A,5,6,7A,7B-HEXAHYDRO-2H-1,7-DIOXACYCLOPENT-[CD]-INDENE

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

[4-S-(4A-ALPHA,5-BETA,6-ALPHA,7A-ALPHA,7B-BETA)]-4,5-DIACETYLOXY-6-(ACETYLOXYMETHYL)-4,4A,5,6,7A,7B-HEXAHYDRO-2H-1,7-DIOXACYCLOPENT-[CD]-INDENE
SpectraBase Compound ID CTqzxUePstz
InChI InChI=1S/C16H20O8/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/h4,11-16H,5-6H2,1-3H3/t11-,12+,13+,14-,15+,16-/m0/s1
InChIKey WVIKHIAKIFZUKH-FBRBKTQXSA-N
Mol Weight 340.33 g/mol
Molecular Formula C16H20O8
Exact Mass 340.115818 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LPX2bDnISpt
Name [4S-(4a.alpha.,5.beta.,6.alpha.,7a.alpha.,7b.alpha.)]-4,5-(Diacetoxy)-6-[(acetoxy)methyl]-4,4a,5,6,7a,7b-hexahydro-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 C16H20O8
InChI InChI=1S/C16H20O8/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/h4,11-16H,5-6H2,1-3H3/t11-,12+,13+,14-,15+,16-/m0/s1
InChIKey WVIKHIAKIFZUKH-FBRBKTQXSA-N
Molecular Weight 340.328 g/mol
SMILES [C@@]12([C@@]([C@@](COC(=O)C)(O[C@]3([C@@]2(C(CO3)=C[C@@]1(OC(=O)C)[H])[H])[H])[H])(OC(=O)C)[H])[H]
SPLASH splash10-0006-9100000000-716c4d8c0e7fd55b3579
Source of Spectrum J-64-8309-9
Synonyms (4aR,5S,6R,7aS,7bS)-4-(acetyloxy)-6-[(acetyloxy)methyl]-4,4a,5,6,7a,7b-hexahydro-2H-1,7-dioxacyclopenta[cd]inden-5-yl acetate
Wiley ID 1531431