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(2R,3S)-O,O-Dicinamoyl-3-dibenzylamino-4-phenylbutane-1,2-diol
SpectraBase Compound ID K9U8qEA8w1
InChI InChI=1S/C42H39NO4/c44-41(28-26-34-16-6-1-7-17-34)46-33-40(47-42(45)29-27-35-18-8-2-9-19-35)39(30-36-20-10-3-11-21-36)43(31-37-22-12-4-13-23-37)32-38-24-14-5-15-25-38/h1-29,39-40H,30-33H2/b28-26+,29-27-/t39-,40-/m0/s1
InChIKey XMSYUWFGEHVZLP-WQUVFWHASA-N
Mol Weight 621.8 g/mol
Molecular Formula C42H39NO4
Exact Mass 621.287909 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7xw5Fpp8bBm
Name (2R,3S)-O,O-Dicinamoyl-3-dibenzylamino-4-phenylbutane-1,2-diol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C42H39NO4
InChI InChI=1S/C42H39NO4/c44-41(28-26-34-16-6-1-7-17-34)46-33-40(47-42(45)29-27-35-18-8-2-9-19-35)39(30-36-20-10-3-11-21-36)43(31-37-22-12-4-13-23-37)32-38-24-14-5-15-25-38/h1-29,39-40H,30-33H2/b28-26+,29-27-/t39-,40-/m0/s1
InChIKey XMSYUWFGEHVZLP-WQUVFWHASA-N
Molecular Weight 621.777 g/mol
SMILES [C@](N(Cc1ccccc1)Cc1ccccc1)([C@@](OC(\C=C/c1ccccc1)=O)(COC(\C=C\c1ccccc1)=O)[H])(Cc1ccccc1)[H]
SPLASH splash10-001i-0901000000-c4229761688f4c3d9044
Source of Spectrum F-70-10351-5
Wiley ID 1597998