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(1'S,2''S,5'R,8'S)-8,8'-BI-[2'-(1'',1''-DIPHENYL-1''-HYDROXYPROPAN-2''-YL)-3',7'-DIOXA-2'-AZABICYCLO-[3.3.0]-OCTANE]
SpectraBase Compound ID Jrd0wdZnMFi
InChI InChI=1S/C40H44N2O6/c1-27(39(43,31-15-7-3-8-16-31)32-17-9-4-10-18-32)41-35-29(25-47-41)23-45-37(35)38-36-30(24-46-38)26-48-42(36)28(2)40(44,33-19-11-5-12-20-33)34-21-13-6-14-22-34/h3-22,27-30,35-38,43-44H,23-26H2,1-2H3/t27?,28?,29-,30-,35+,36+,37+,38+/m1/s1
InChIKey VVFQIAJGMGUDLM-GOYFDUFHSA-N
Mol Weight 648.8 g/mol
Molecular Formula C40H44N2O6
Exact Mass 648.319937 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7N1NHVXFKfn
Name (1'S,2''S,5'R,8'S)-8,8'-BI-[2'-(1'',1''-DIPHENYL-1''-HYDROXYPROPAN-2''-YL)-3',7'-DIOXA-2'-AZABICYCLO-[3.3.0]-OCTANE]
Compound Number 8G
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C40H44N2O6
InChI InChI=1S/C40H44N2O6/c1-27(39(43,31-15-7-3-8-16-31)32-17-9-4-10-18-32)41-35-29(25-47-41)23-45-37(35)38-36-30(24-46-38)26-48-42(36)28(2)40(44,33-19-11-5-12-20-33)34-21-13-6-14-22-34/h3-22,27-30,35-38,43-44H,23-26H2,1-2H3/t27?,28?,29-,30-,35+,36+,37+,38+/m1/s1
InChIKey VVFQIAJGMGUDLM-GOYFDUFHSA-N
Literature Reference Author S.BASKARAN,H.G.AURICH,F.BIESEMEIER,K.HARMS
Literature Reference Citation J.CHEM.SOC.PERKIN-1,3717(1998)
Literature Reference DOI 10.1039/a806744i
Molecular Weight 648.799 g/mol
Solvent CDCl3
Source File Reference UWCP8999