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(2S*)-2-(1-Hydroxycyclohexyl)-5,6-Di-O-benzoyl-3-deoxygulono-.gama.-lactone
SpectraBase Compound ID 1HVAnVgnczi
InChI InChI=1S/C26H28O7/c27-23(18-10-4-1-5-11-18)31-17-22(33-24(28)19-12-6-2-7-13-19)21-16-20(25(29)32-21)26(30)14-8-3-9-15-26/h1-2,4-7,10-13,20-22,30H,3,8-9,14-17H2/t20-,21+,22+/m1/s1
InChIKey NLEUDQVBLMCEFF-FSSWDIPSSA-N
Mol Weight 452.5 g/mol
Molecular Formula C26H28O7
Exact Mass 452.183503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CP77eJz67Th
Name (2S*)-2-(1-Hydroxycyclohexyl)-5,6-Di-O-benzoyl-3-deoxygulono-.gama.-lactone
Alternate Name(s) (1S)-2-(benzoyloxy)-1-[(2S,4S)-4-(1-hydroxycyclohexyl)-5-oxooxolan-2-yl]ethyl benzoate benzoic acid[(2S)-2-benzoyloxy-2-[(2S,4S)-4-(1-hydroxycyclohexyl)-5-keto-tetrahydrofuran-2-yl]ethyl]ester benzoic acid[(2S)-2-benzoyloxy-2-[(2S,4S)-4-(1-hydroxycyclohexyl)-5-oxo-2-oxolanyl]ethyl]ester [(2S)-2-benzoyloxy-2-[(2S,4S)-4-(1-hydroxycyclohexyl)-5-oxo-tetrahydrofuran-2-yl]ethyl]benzoate [(2S)-2-benzoyloxy-2-[(2S,4S)-4-(1-hydroxycyclohexyl)-5-oxooxolan-2-yl]ethyl]benzoate [(2S)-2-[(2S,4S)-4-(1-oxidanylcyclohexyl)-5-oxidanylidene-oxolan-2-yl]-2-(phenylcarbonyloxy)ethyl]benzoate benzoic acid [(2S)-2-benzoyloxy-2-[(2S,4S)-4-(1-hydroxycyclohexyl)-5-oxo-2-oxolanyl]ethyl] ester [(2S)-2-benzoyloxy-2-[(2S,4S)-4-(1-hydroxycyclohexyl)-5-oxooxolan-2-yl]ethyl] benzoate [(2S)-2-benzoyloxy-2-[(2S,4S)-4-(1-hydroxycyclohexyl)-5-oxo-tetrahydrofuran-2-yl]ethyl] benzoate [(2S)-2-[(2S,4S)-4-(1-oxidanylcyclohexyl)-5-oxidanylidene-oxolan-2-yl]-2-(phenylcarbonyloxy)ethyl] benzoate
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Formula C26H28O7
InChI InChI=1S/C26H28O7/c27-23(18-10-4-1-5-11-18)31-17-22(33-24(28)19-12-6-2-7-13-19)21-16-20(25(29)32-21)26(30)14-8-3-9-15-26/h1-2,4-7,10-13,20-22,30H,3,8-9,14-17H2/t20-,21+,22+/m1/s1
InChIKey NLEUDQVBLMCEFF-FSSWDIPSSA-N
Molecular Weight 452.503 g/mol
SMILES OC1([C@]2(C(O[C@@](C2)([C@@](OC(=O)c2ccccc2)(COC(=O)c2ccccc2)[H])[H])=O)[H])CCCCC1
SPLASH splash10-0a4i-1900000000-2cbffefeb3a9d1a118c3
Source of Spectrum J-58-4068-10
Wiley ID 1388293