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2-BENZYLOXYCARBONYLAMINOETHYL 2-O-[2,4-DI-O-BENZYL-3-O-(3,6-DIDEOXY-ALPHA-D-XYLOHEXOPYRANOSYL)-BETA-L-RHAMNOPYRANOSYL]-3-O-BENZYL-ALPHA-D-MANNOPYRANOSIDE
SpectraBase Compound ID DBCOscZM9II
InChI InChI=1S/C49H61NO15/c1-31-37(52)25-38(53)46(61-31)64-43-41(57-27-33-15-7-3-8-16-33)32(2)62-48(44(43)59-29-35-19-11-5-12-20-35)65-45-42(58-28-34-17-9-4-10-18-34)40(54)39(26-51)63-47(45)56-24-23-50-49(55)60-30-36-21-13-6-14-22-36/h3-22,31-32,37-48,51-54H,23-30H2,1-2H3,(H,50,55)/t31-,32+,37-,38-,39-,40-,41+,42+,43-,44-,45+,46-,47+,48-/m1/s1
InChIKey QYPANYUKNRKQMT-ZQDUQZDJSA-N
Mol Weight 904.0 g/mol
Molecular Formula C49H61NO15
Exact Mass 903.40412 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7UGxkLcaP2o
Name 2-BENZYLOXYCARBONYLAMINOETHYL 2-O-[2,4-DI-O-BENZYL-3-O-(3,6-DIDEOXY-ALPHA-D-XYLOHEXOPYRANOSYL)-BETA-L-RHAMNOPYRANOSYL]-3-O-BENZYL-ALPHA-D-MANNOPYRANOSIDE
Comments (
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Formula C49H61NO15
InChI InChI=1S/C49H61NO15/c1-31-37(52)25-38(53)46(61-31)64-43-41(57-27-33-15-7-3-8-16-33)32(2)62-48(44(43)59-29-35-19-11-5-12-20-35)65-45-42(58-28-34-17-9-4-10-18-34)40(54)39(26-51)63-47(45)56-24-23-50-49(55)60-30-36-21-13-6-14-22-36/h3-22,31-32,37-48,51-54H,23-30H2,1-2H3,(H,50,55)/t31-,32+,37-,38-,39-,40-,41+,42+,43-,44-,45+,46-,47+,48-/m1/s1
InChIKey QYPANYUKNRKQMT-ZQDUQZDJSA-N
Instrument Name Bruker WM-250
Literature Reference A.YA.CHERNYAK, I.V.DEMIDOV, N.K.KOCHETKOV (1989) Bioorganich.Khim.(Russ.Lang.): v.15, N12, 1673-1685.
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3