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Methyl 2,6-di-O-benzoyl-.alpha.,D-mannopyranoside
SpectraBase Compound ID CrglcMcSYk0
InChI InChI=1S/C21H22O8/c1-26-21-18(29-20(25)14-10-6-3-7-11-14)17(23)16(22)15(28-21)12-27-19(24)13-8-4-2-5-9-13/h2-11,15-18,21-23H,12H2,1H3/t15-,16-,17+,18+,21+/m1/s1
InChIKey XILYXPMGDAVPPF-QKIGPUQLSA-N
Mol Weight 402.4 g/mol
Molecular Formula C21H22O8
Exact Mass 402.131468 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7GGvBMfrNDe
Name Methyl 2,6-di-O-benzoyl-.alpha.,D-mannopyranoside
Alternate Name(s) benzoic acid [(2R,3S,4S,5S,6S)-5-benzoyloxy-3,4-dihydroxy-6-methoxy-2-oxanyl]methyl ester [(2R,3S,4S,5S,6S)-5-benzoyloxy-3,4-dihydroxy-6-methoxyoxan-2-yl]methyl benzoate [(2R,3S,4S,5S,6S)-5-benzoyloxy-3,4-dihydroxy-6-methoxy-tetrahydropyran-2-yl]methyl benzoate [(2R,3S,4S,5S,6S)-6-methoxy-3,4-bis(oxidanyl)-5-(phenylcarbonyloxy)oxan-2-yl]methyl benzoate
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Formula C21H22O8
InChI InChI=1S/C21H22O8/c1-26-21-18(29-20(25)14-10-6-3-7-11-14)17(23)16(22)15(28-21)12-27-19(24)13-8-4-2-5-9-13/h2-11,15-18,21-23H,12H2,1H3/t15-,16-,17+,18+,21+/m1/s1
InChIKey XILYXPMGDAVPPF-QKIGPUQLSA-N
Molecular Weight 402.399 g/mol
SMILES O[C@@]1([C@](O[C@@]([C@]([C@]1(O)[H])(OC(=O)c1ccccc1)[H])(OC)[H])(COC(=O)c1ccccc1)[H])[H]
SPLASH splash10-0adi-5591000000-9a0c24b3ef1226d1c120
Source of Spectrum KC-0-363-48
Wiley ID 787225