| SpectraBase Compound ID | 1ShB7bcQ7tb |
|---|---|
| InChI | InChI=1S/C50H48N3O20P.C6H15N/c1-29(54)51-39-41(56)42(70-47(59)33-19-11-5-12-20-33)37(27-65-45(57)31-15-7-3-8-16-31)69-50(39)73-74(63,64)72-44-40(52-30(2)55)49(67-36-25-23-35(24-26-36)53(61)62)68-38(28-66-46(58)32-17-9-4-10-18-32)43(44)71-48(60)34-21-13-6-14-22-34;1-4-7(5-2)6-3/h3-26,37-44,49-50,56H,27-28H2,1-2H3,(H,51,54)(H,52,55)(H,63,64);4-6H2,1-3H3/t37-,38-,39-,40-,41-,42-,43-,44-,49-,50-;/m1./s1 |
| InChIKey | NQANOMGLXODIJX-WMPBCUSKSA-N |
| Mol Weight | 1143.1 g/mol |
| Molecular Formula | C56H63N4O20P |
| Exact Mass | 1142.377327 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4DKS5YsC0Yc |
|---|---|
| Name | PARA-NITROPHENYL 2-ACETAMIDO-3-(2-ACETAMIDO-4,6-DI-O-BENZOYL-2-DEOXY-ALPHA-D-GLUCOPYRANOSYLPHOSPHO)-4,6-DI-O-BENZOYL-2-DEOXY-BETA-D-GLUCOPYRANOSIDE,TRIETHYLAMMONIUM SALT |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C56H63N4O20P |
| InChI | InChI=1S/C50H48N3O20P.C6H15N/c1-29(54)51-39-41(56)42(70-47(59)33-19-11-5-12-20-33)37(27-65-45(57)31-15-7-3-8-16-31)69-50(39)73-74(63,64)72-44-40(52-30(2)55)49(67-36-25-23-35(24-26-36)53(61)62)68-38(28-66-46(58)32-17-9-4-10-18-32)43(44)71-48(60)34-21-13-6-14-22-34;1-4-7(5-2)6-3/h3-26,37-44,49-50,56H,27-28H2,1-2H3,(H,51,54)(H,52,55)(H,63,64);4-6H2,1-3H3/t37-,38-,39-,40-,41-,42-,43-,44-,49-,50-;/m1./s1 |
| InChIKey | NQANOMGLXODIJX-WMPBCUSKSA-N |
| Instrument Name | Bruker AC-200 |
| Literature Reference | A.V.NIKOLAEV, I.A.IVANOVA, V.N.SHIBAEV (1992) Bioorganich.Khim.(Russ. Lang.):v.18, N1, 126-141. |
| NMR Standard | H3PO4 85% |
| Observed nucleus | 31P |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | CDCl3 chloroform-d |