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(1S,2R,3S,4R)-1,4-Di-O-acetyl-2,3-O-(1-methylethylidene)cyclohept-5-ene-1,2,3,4-tetrol

View entire compound with spectra: 1 MS (GC)

(1S,2R,3S,4R)-1,4-Di-O-acetyl-2,3-O-(1-methylethylidene)cyclohept-5-ene-1,2,3,4-tetrol
SpectraBase Compound ID 5NyDmgxpyxM
InChI InChI=1S/C14H20O6/c1-8(15)17-10-6-5-7-11(18-9(2)16)13-12(10)19-14(3,4)20-13/h5-6,10-13H,7H2,1-4H3/t10-,11+,12+,13-/m1/s1
InChIKey SIGUYRVRVXJJNH-MROQNXINSA-N
Mol Weight 284.31 g/mol
Molecular Formula C14H20O6
Exact Mass 284.125988 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F5ksDLtcI4S
Name (1S,2R,3S,4R)-1,4-Di-O-acetyl-2,3-O-(1-methylethylidene)cyclohept-5-ene-1,2,3,4-tetrol
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H20O6
InChI InChI=1S/C14H20O6/c1-8(15)17-10-6-5-7-11(18-9(2)16)13-12(10)19-14(3,4)20-13/h5-6,10-13H,7H2,1-4H3/t10-,11+,12+,13-/m1/s1
InChIKey SIGUYRVRVXJJNH-MROQNXINSA-N
Molecular Weight 284.308 g/mol
SMILES [C@]12([C@](OC(O2)(C)C)([C@@](OC(=O)C)(CC=C[C@]1(OC(=O)C)[H])[H])[H])[H]
SPLASH splash10-0006-9000000000-10748ef25c70fe958616
Source of Spectrum J-65-5418-11
Synonyms (3aR,4S,8R,8aS)-8-(acetyloxy)-2,2-dimethyl-4,5,8,8a-tetrahydro-3aH-cyclohepta[d][1,3]dioxol-4-yl acetate acetic acid[(3aS,4R,8S,8aR)-4-acetoxy-2,2-dimethyl-4,7,8,8a-tetrahydro-3aH-cyclohepta[d][1,3]dioxol-8-yl]ester acetic acid[(3aS,4R,8S,8aR)-4-acetyloxy-2,2-dimethyl-4,7,8,8a-tetrahydro-3aH-cyclohepta[d][1,3]dioxol-8-yl]ester [(3aS,4R,8S,8aR)-4-acetoxy-2,2-dimethyl-4,7,8,8a-tetrahydro-3aH-cyclohepta[d][1,3]dioxol-8-yl]acetate [(3aS,4R,8S,8aR)-4-acetyloxy-2,2-dimethyl-4,7,8,8a-tetrahydro-3aH-cyclohepta[d][1,3]dioxol-8-yl]acetate [(3aS,4R,8S,8aR)-4-acetyloxy-2,2-dimethyl-4,7,8,8a-tetrahydro-3aH-cyclohepta[d][1,3]dioxol-8-yl]ethanoate acetic acid [(3aS,4R,8S,8aR)-4-acetyloxy-2,2-dimethyl-4,7,8,8a-tetrahydro-3aH-cyclohepta[d][1,3]dioxol-8-yl] ester [(3aS,4R,8S,8aR)-4-acetyloxy-2,2-dimethyl-4,7,8,8a-tetrahydro-3aH-cyclohepta[d][1,3]dioxol-8-yl] acetate [(3aS,4R,8S,8aR)-4-acetoxy-2,2-dimethyl-4,7,8,8a-tetrahydro-3aH-cyclohepta[d][1,3]dioxol-8-yl] acetate [(3aS,4R,8S,8aR)-4-acetyloxy-2,2-dimethyl-4,7,8,8a-tetrahydro-3aH-cyclohepta[d][1,3]dioxol-8-yl] ethanoate
Wiley ID 1533048