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(3aS,4S,6S,7S,7aS)-6,7-Dihydroxy-6-methyl-3-oxo-octahydro-benzofuran-4-carboxylic acid methyl ester
SpectraBase Compound ID 4ba0xg57xdu
InChI InChI=1S/C11H16O6/c1-11(15)3-5(10(14)16-2)7-6(12)4-17-8(7)9(11)13/h5,7-9,13,15H,3-4H2,1-2H3/t5-,7+,8-,9-,11-/m0/s1
InChIKey HLJHTZAECKZFIJ-KHWWSFOCSA-N
Mol Weight 244.24 g/mol
Molecular Formula C11H16O6
Exact Mass 244.094688 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3O8oSst7X0i
Name (3aS,4S,6S,7S,7aS)-6,7-Dihydroxy-6-methyl-3-oxo-octahydro-benzofuran-4-carboxylic acid methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H16O6
InChI InChI=1S/C11H16O6/c1-11(15)3-5(10(14)16-2)7-6(12)4-17-8(7)9(11)13/h5,7-9,13,15H,3-4H2,1-2H3/t5-,7+,8-,9-,11-/m0/s1
InChIKey HLJHTZAECKZFIJ-KHWWSFOCSA-N
Molecular Weight 244.243 g/mol
SMILES O[C@@]1([C@](C[C@@]([C@]2([C@@]1(OCC2=O)[H])[H])(C(=O)OC)[H])(O)C)[H]
SPLASH splash10-004l-0980000000-f7015849957a2d19ad54
Source of Spectrum C-117-1926-37
Wiley ID 1697540