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(3S,4R*,5R,6S)-N-Benzyl-5-hydroxy-3,4,6-tri-O-benzoylazepane
SpectraBase Compound ID 7SP1Y6rRZUX
InChI InChI=1S/C34H31NO7/c36-30-28(40-32(37)25-15-7-2-8-16-25)22-35(21-24-13-5-1-6-14-24)23-29(41-33(38)26-17-9-3-10-18-26)31(30)42-34(39)27-19-11-4-12-20-27/h1-20,28-31,36H,21-23H2/t28-,29-,30+,31+/m0/s1
InChIKey FIEANGUGFACCAX-SYQUUIDJSA-N
Mol Weight 565.6 g/mol
Molecular Formula C34H31NO7
Exact Mass 565.210052 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7v2t1RuaX3x
Name (3S,4R*,5R,6S)-N-Benzyl-5-hydroxy-3,4,6-tri-O-benzoylazepane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C34H31NO7
InChI InChI=1S/C34H31NO7/c36-30-28(40-32(37)25-15-7-2-8-16-25)22-35(21-24-13-5-1-6-14-24)23-29(41-33(38)26-17-9-3-10-18-26)31(30)42-34(39)27-19-11-4-12-20-27/h1-20,28-31,36H,21-23H2/t28-,29-,30+,31+/m0/s1
InChIKey FIEANGUGFACCAX-SYQUUIDJSA-N
Molecular Weight 565.622 g/mol
SMILES O[C@@]1([C@@](OC(=O)c2ccccc2)(CN(C[C@@]([C@]1(OC(=O)c1ccccc1)[H])(OC(=O)c1ccccc1)[H])Cc1ccccc1)[H])[H]
SPLASH splash10-052f-9600000000-30b789282f7f78638085
Source of Spectrum Y1-36-224-8
Wiley ID 1526977