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(2R*,3R*,4R*)-1-(phenylsufonyl)-2-benzyloxy-3-acetoxy-4-phenyl-6-(ethoxycarbonyl)-1,2,3,4-hydropyridine
SpectraBase Compound ID KJSB5AmZevC
InChI InChI=1S/C29H29NO7S/c1-3-35-29(32)26-19-25(23-15-9-5-10-16-23)27(37-21(2)31)28(36-20-22-13-7-4-8-14-22)30(26)38(33,34)24-17-11-6-12-18-24/h4-19,25,27-28H,3,20H2,1-2H3/t25-,27-,28-/m1/s1
InChIKey LGFGOYSWPXFMTR-BIYCFNCWSA-N
Mol Weight 535.61 g/mol
Molecular Formula C29H29NO7S
Exact Mass 535.166473 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KMRktg4pKWg
Name (2R*,3R*,4R*)-1-(phenylsufonyl)-2-benzyloxy-3-acetoxy-4-phenyl-6-(ethoxycarbonyl)-1,2,3,4-hydropyridine
Alternate Name(s) Ethyl (4R,5R,6R)-5-(acetyloxy)-6-(benzyloxy)-4-phenyl-1-(phenylsulfonyl)-1,4,5,6-tetrahydro-2-pyridinecarboxylate
CAS Registry Number 132646-97-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H29NO7S
InChI InChI=1S/C29H29NO7S/c1-3-35-29(32)26-19-25(23-15-9-5-10-16-23)27(37-21(2)31)28(36-20-22-13-7-4-8-14-22)30(26)38(33,34)24-17-11-6-12-18-24/h4-19,25,27-28H,3,20H2,1-2H3/t25-,27-,28-/m1/s1
InChIKey LGFGOYSWPXFMTR-BIYCFNCWSA-N
Molecular Weight 535.611 g/mol
SMILES C=1(N([C@@]([C@@]([C@](C1)(c1ccccc1)[H])(OC(=O)C)[H])(OCc1ccccc1)[H])S(=O)(=O)c1ccccc1)C(=O)OCC
SPLASH splash10-0006-9001000000-6f01b814d5fd919a5fbf
Source of Spectrum C-113-1725-33
Wiley ID 1403948