| SpectraBase Compound ID | LWa249RCZ31 |
|---|---|
| InChI | InChI=1S/C28H27N2O13P.2C6H15N/c1-17(31)29-23-25(43-44(36,37)38)24(42-27(33)19-10-6-3-7-11-19)22(16-39-26(32)18-8-4-2-5-9-18)41-28(23)40-21-14-12-20(13-15-21)30(34)35;2*1-4-7(5-2)6-3/h2-15,22-25,28H,16H2,1H3,(H,29,31)(H2,36,37,38);2*4-6H2,1-3H3/t22-,23-,24-,25-,28-;;/m1../s1 |
| InChIKey | QLQLCNYEQHZPEH-WSYYGFCPSA-N |
| Mol Weight | 832.88 g/mol |
| Molecular Formula | C40H57N4O13P |
| Exact Mass | 832.365975 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JViFOelBNLD |
|---|---|
| Name | PARA-NITROPHENYL 2-ACETAMIDO-4,6-DI-O-BENZOYL-2-DEOXY-BETA-D-GLUCOPYRANOSIDE-3-PHOSPHATE, BIS(TRIETHYLAMMONIUM) SALT |
| Comments | , MIXTURE WITH MONOANION |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C40H57N4O13P |
| InChI | InChI=1S/C28H27N2O13P.2C6H15N/c1-17(31)29-23-25(43-44(36,37)38)24(42-27(33)19-10-6-3-7-11-19)22(16-39-26(32)18-8-4-2-5-9-18)41-28(23)40-21-14-12-20(13-15-21)30(34)35;2*1-4-7(5-2)6-3/h2-15,22-25,28H,16H2,1H3,(H,29,31)(H2,36,37,38);2*4-6H2,1-3H3/t22-,23-,24-,25-,28-;;/m1../s1 |
| InChIKey | QLQLCNYEQHZPEH-WSYYGFCPSA-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 |