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(4S,5R,6R,7S)-4,7-DIBENZYLOXYMETHYL-5,6-DIHYDROXY-5,6-O-METHYLETHYLIDENE-2-(N-BENZYL)-IMINO-1,3-DIAZEPANE
SpectraBase Compound ID EPLZCCVyK2s
InChI InChI=1S/C31H37N3O4/c1-31(2)37-28-26(21-35-19-24-14-8-4-9-15-24)33-30(32-18-23-12-6-3-7-13-23)34-27(29(28)38-31)22-36-20-25-16-10-5-11-17-25/h3-17,26-29H,18-22H2,1-2H3,(H2,32,33,34)/t26-,27-,28+,29+/m0/s1
InChIKey DDKSZXDHGIGPSQ-QUAHOIDUSA-N
Mol Weight 515.7 g/mol
Molecular Formula C31H37N3O4
Exact Mass 515.278407 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 786CDh3ERBU
Name (4S,5R,6R,7S)-4,7-DIBENZYLOXYMETHYL-5,6-DIHYDROXY-5,6-O-METHYLETHYLIDENE-2-(N-BENZYL)-IMINO-1,3-DIAZEPANE
Compound Number 35
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H37N3O4
InChI InChI=1S/C31H37N3O4/c1-31(2)37-28-26(21-35-19-24-14-8-4-9-15-24)33-30(32-18-23-12-6-3-7-13-23)34-27(29(28)38-31)22-36-20-25-16-10-5-11-17-25/h3-17,26-29H,18-22H2,1-2H3,(H2,32,33,34)/t26-,27-,28+,29+/m0/s1
InChIKey DDKSZXDHGIGPSQ-QUAHOIDUSA-N
Literature Reference Author Y.L.MERRER,L.GAUZY,C.GRAVIER-PELLETIER,J.C.DEPEZAY
Literature Reference Citation BIOORG.MED.CHEM.,8,307(2000)
Literature Reference DOI 10.1016/S0968-0896(99)00294-1
Molecular Weight 515.652 g/mol
Solvent CDCl3
Source File Reference UWVN20109