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(6E)-6,7,8,9-Tetradeoxy-3,4,5-tris-[(1,1-dimethylethyl)dimethylsilyl]-N-[(3R)-hexahydro-2-oxo-1H-azepin-3-yl]-8-methyl-2-O-methyl-L-gulonon-6-enoamide
SpectraBase Compound ID EFIzYf3xO31
InChI InChI=1S/C35H72N2O6Si3/c1-25(2)22-23-27(41-44(13,14)33(3,4)5)28(42-45(15,16)34(6,7)8)29(43-46(17,18)35(9,10)11)30(40-12)32(39)37-26-21-19-20-24-36-31(26)38/h22-23,25-30H,19-21,24H2,1-18H3,(H,36,38)(H,37,39)/b23-22+/t26-,27+,28-,29+,30+/m1/s1
InChIKey VKNUTINWXAIUHD-OJXJEUIOSA-N
Mol Weight 701.2 g/mol
Molecular Formula C35H72N2O6Si3
Exact Mass 700.469818 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5Jw3WCiWDw
Name (6E)-6,7,8,9-Tetradeoxy-3,4,5-tris-[(1,1-dimethylethyl)dimethylsilyl]-N-[(3R)-hexahydro-2-oxo-1H-azepin-3-yl]-8-methyl-2-O-methyl-L-gulonon-6-enoamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C35H72N2O6Si3
InChI InChI=1S/C35H72N2O6Si3/c1-25(2)22-23-27(41-44(13,14)33(3,4)5)28(42-45(15,16)34(6,7)8)29(43-46(17,18)35(9,10)11)30(40-12)32(39)37-26-21-19-20-24-36-31(26)38/h22-23,25-30H,19-21,24H2,1-18H3,(H,36,38)(H,37,39)/b23-22+/t26-,27+,28-,29+,30+/m1/s1
InChIKey VKNUTINWXAIUHD-OJXJEUIOSA-N
Molecular Weight 701.224 g/mol
SMILES N(C([C@]([C@]([C@](O[Si](C(C)(C)C)(C)C)([C@@](O[Si](C(C)(C)C)(C)C)(\C=C\C(C)C)[H])[H])(O[Si](C(C)(C)C)(C)C)[H])(OC)[H])=O)[C@]1(C(NCCCC1)=O)[H]
SPLASH splash10-0ab9-6443906000-ed2e2975421c1293bcb4
Source of Spectrum J-66-6773-16
Synonyms (E,2S,3R,4R,5S)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]-2-methoxy-8-methyl-N-[(3R)-2-oxo-3-azepanyl]-6-nonenamide (E,2S,3R,4R,5S)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]-2-methoxy-8-methyl-N-[(3R)-2-oxoazepan-3-yl]non-6-enamide (E,2S,3R,4R,5S)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]-2-methoxy-8-methyl-N-[(3R)-2-oxidanylideneazepan-3-yl]non-6-enamide
Wiley ID 1535946