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(1'S,2'S)-Methyl 2-O-benzoyl-3,4-O-(1',2'-dimethoxycyclohexane-1',2'-diyl)-.alpha.,D-mannopyranoside
SpectraBase Compound ID 19oGAflfycF
InChI InChI=1S/C22H32O8/c1-24-20-19(27-14-15-9-5-4-6-10-15)18-17(16(13-23)28-20)29-21(25-2)11-7-8-12-22(21,26-3)30-18/h4-6,9-10,16-20,23H,7-8,11-14H2,1-3H3/t16-,17-,18+,19+,20+,21?,22?/m1/s1
InChIKey URZGSABPILCRNV-QQUONOJMSA-N
Mol Weight 424.5 g/mol
Molecular Formula C22H32O8
Exact Mass 424.209718 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4KSUvexRR2
Name (1'S,2'S)-Methyl 2-O-benzoyl-3,4-O-(1',2'-dimethoxycyclohexane-1',2'-diyl)-.alpha.,D-mannopyranoside
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H32O8
InChI InChI=1S/C22H32O8/c1-24-20-19(27-14-15-9-5-4-6-10-15)18-17(16(13-23)28-20)29-21(25-2)11-7-8-12-22(21,26-3)30-18/h4-6,9-10,16-20,23H,7-8,11-14H2,1-3H3/t16-,17-,18+,19+,20+,21?,22?/m1/s1
InChIKey URZGSABPILCRNV-QQUONOJMSA-N
Molecular Weight 424.490 g/mol
SMILES OC[C@@]1([C@@]2([C@](OC3(C(OC)(CCCC3)O2)OC)([C@@]([C@](O1)(OC)[H])(OCc1ccccc1)[H])[H])[H])[H]
SPLASH splash10-0006-0609200000-d2827cac4be2bef6cfec
Source of Spectrum KC-0-360-37
Synonyms (1'S,2'S)-Methyl 2-O-benzyl-3,4-O-(1',2'-dimethoxycyclohexane-1',2'-diyl)-.alpha.,D-mannopyranoside
Wiley ID 787235