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6,7,8,9-TETRAHYDRO-2-(1,2,3,4,5-PENTA-O-BENZOYL-D-MANNO-PENTITOL-1-YL)-5-H-1,2,4-TRIAZOLO-[1.5-A]-AZEPINE
SpectraBase Compound ID DaZNYtQSWLA
InChI InChI=1S/C47H41N3O10/c51-43(32-19-7-1-8-20-32)56-31-37(57-44(52)33-21-9-2-10-22-33)39(58-45(53)34-23-11-3-12-24-34)40(59-46(54)35-25-13-4-14-26-35)41(60-47(55)36-27-15-5-16-28-36)42-48-38-29-17-6-18-30-50(38)49-42/h1-5,7-16,19-28,37,39-41H,6,17-18,29-31H2
InChIKey JPAVZOVVDKSKIE-UHFFFAOYSA-N
Mol Weight 807.9 g/mol
Molecular Formula C47H41N3O10
Exact Mass 807.279195 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IOUzHOzNexI
Name 6,7,8,9-TETRAHYDRO-2-(1,2,3,4,5-PENTA-O-BENZOYL-D-MANNO-PENTITOL-1-YL)-5-H-1,2,4-TRIAZOLO-[1.5-A]-AZEPINE
Compound Number 8D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C47H41N3O10
InChI InChI=1S/C47H41N3O10/c51-43(32-19-7-1-8-20-32)56-31-37(57-44(52)33-21-9-2-10-22-33)39(58-45(53)34-23-11-3-12-24-34)40(59-46(54)35-25-13-4-14-26-35)41(60-47(55)36-27-15-5-16-28-36)42-48-38-29-17-6-18-30-50(38)49-42/h1-5,7-16,19-28,37,39-41H,6,17-18,29-31H2
InChIKey JPAVZOVVDKSKIE-UHFFFAOYSA-N
Literature Reference Author N.A.AL-MASOUDI,Y.A.AL-SOUD,I.M.LAGOJA
Literature Reference Citation CARBOHYDR.RES.,318,67(1999)
Literature Reference DOI 10.1016/S0008-6215(99)00084-1
Molecular Weight 807.857 g/mol
Solvent CDCl3
Source File Reference UWMZ4803