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D-galacto-Non-3-enononitrile, 2,3,4-trideoxy-3-methyl-5,7-di-O-methyl-8,9-O-(1-methylethylidene)-6-O-(phenylmethyl)-, (3E)-
SpectraBase Compound ID Gt106yFDKwf
InChI InChI=1S/C22H31NO5/c1-22(2)27-16-19(28-22)20(25-4)21(18(24-3)13-9-6-10-14-23)26-15-17-11-7-5-8-12-17/h5,7-9,11-13,18-21H,6,10,15-16H2,1-4H3/b13-9+/t18-,19?,20-,21+/m0/s1
InChIKey RZXOIKLDLZGATA-FITYNVIDSA-N
Mol Weight 389.49 g/mol
Molecular Formula C22H31NO5
Exact Mass 389.220223 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C0fYYsf6Cd3
Name D-galacto-Non-3-enononitrile, 2,3,4-trideoxy-3-methyl-5,7-di-O-methyl-8,9-O-(1-methylethylidene)-6-O-(phenylmethyl)-, (3E)-
CAS Registry Number 126502-51-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H31NO5
InChI InChI=1S/C22H31NO5/c1-22(2)27-16-19(28-22)20(25-4)21(18(24-3)13-9-6-10-14-23)26-15-17-11-7-5-8-12-17/h5,7-9,11-13,18-21H,6,10,15-16H2,1-4H3/b13-9+/t18-,19?,20-,21+/m0/s1
InChIKey RZXOIKLDLZGATA-FITYNVIDSA-N
Molecular Weight 389.492 g/mol
SMILES C1(OC(C)(C)OC1)[C@@]([C@](OCc1ccccc1)([C@](\C=C\CCC#N)(OC)[H])[H])(OC)[H]
SPLASH splash10-00di-1910000000-a0fca04f0db791ecb4c2
Source of Spectrum J-55-2782-29
Synonyms (2E)-2,3-dideoxy-1-cyano-2-methyl-4,6-di-O-methyl-7,8-O-(1-methylethylidene)-5-O-(phenylmethyl)-D-galactooct-2-ene (4E,6S,7R,8S)-7-(benzyloxy)-8-(2,2-dimethyl-1,3-dioxolan-4-yl)-6,8-dimethoxyoct-4-enenitrile
Wiley ID 1364374