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2,6-Dimethyl-7-tert-butoxy-4-acetoxy-9.alpha.-hydroxyicyclo[4.3.0]nona-1-en-3-one isomer
SpectraBase Compound ID JmacGNcAX9m
InChI InChI=1S/C17H26O5/c1-9-14-11(19)7-13(22-16(3,4)5)17(14,6)8-12(15(9)20)21-10(2)18/h11-13,19H,7-8H2,1-6H3/t11-,12-,13-,17+/m0/s1
InChIKey QQSXESIBCKHNGN-NEULZYRMSA-N
Mol Weight 310.39 g/mol
Molecular Formula C17H26O5
Exact Mass 310.178024 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J7wOrEMmPuU
Name 2,6-Dimethyl-7-tert-butoxy-4-acetoxy-9.alpha.-hydroxyicyclo[4.3.0]nona-1-en-3-one isomer
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Formula C17H26O5
InChI InChI=1S/C17H26O5/c1-9-14-11(19)7-13(22-16(3,4)5)17(14,6)8-12(15(9)20)21-10(2)18/h11-13,19H,7-8H2,1-6H3/t11-,12-,13-,17+/m0/s1
InChIKey QQSXESIBCKHNGN-NEULZYRMSA-N
Molecular Weight 310.390 g/mol
SMILES O[C@@]1(C=2[C@@]([C@](C1)(OC(C)(C)C)[H])(C[C@@](C(=O)C2C)(OC(=O)C)[H])C)[H]
SPLASH splash10-0udj-3920000000-3b815aa607b292ddcf16
Source of Spectrum F-50-8422-81
Synonyms (4S,6S,7S,9S)-2,6-Dimethyl-7-tert-butoxy-4-acetoxy-9.alpha.-hydroxy-cyclo[4.3.0]nona-1-en-3-one
Wiley ID 1311533