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Phenyl 6-O-benzoyl-3,4-O-(1',2'-dimethoxycyclohexane-1',2'-diyl)-1-seleno-.alpha.,D-mannopyranoside
SpectraBase Compound ID 3rjOglq02wp
InChI InChI=1S/C27H32O8Se/c1-30-26-15-9-10-16-27(26,31-2)35-23-21(28)25(36-19-13-7-4-8-14-19)33-20(22(23)34-26)17-32-24(29)18-11-5-3-6-12-18/h3-8,11-14,20-23,25,28H,9-10,15-17H2,1-2H3/t20-,21+,22-,23-,25-,26?,27?/m1/s1
InChIKey UJGGVHUDPHVSRC-WIWIETMGSA-N
Mol Weight 563.5 g/mol
Molecular Formula C27H32O8Se
Exact Mass 564.12624 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 27LIJoNdVbM
Name Phenyl 6-O-benzoyl-3,4-O-(1',2'-dimethoxycyclohexane-1',2'-diyl)-1-seleno-.alpha.,D-mannopyranoside
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H32O8Se
InChI InChI=1S/C27H32O8Se/c1-30-26-15-9-10-16-27(26,31-2)35-23-21(28)25(36-19-13-7-4-8-14-19)33-20(22(23)34-26)17-32-24(29)18-11-5-3-6-12-18/h3-8,11-14,20-23,25,28H,9-10,15-17H2,1-2H3/t20-,21+,22-,23-,25-,26?,27?/m1/s1
InChIKey UJGGVHUDPHVSRC-WIWIETMGSA-N
Molecular Weight 563.517 g/mol
SMILES O[C@@]1([C@](O[C@@]([C@@]2([C@@]1(OC1(C(OC)(CCCC1)O2)OC)[H])[H])(COC(=O)c1ccccc1)[H])([Se]c1ccccc1)[H])[H]
SPLASH splash10-0a59-0902360000-0b3c2b718ac3724e329e
Source of Spectrum KC-0-360-36
Synonyms (1'S,2'S)-Phenyl 6-O-benzoyl-3,4-O-(1',2'-dimethoxycyclohexane-1',2'-diyl)-1-seleno-.alpha.,D-mannopyranoside [(1R,3R,4S,4aR,10aR)-4-hydroxy-5a,9a-dimethoxy-3-(phenylselanyl)decahydro-1H-pyrano[3,4-b][1,4]benzodioxin-1-yl]methyl benzoate
Wiley ID 787236