| SpectraBase Compound ID | 4JAP6NmMgfu |
|---|---|
| InChI | InChI=1S/C94H89O42P3.3C6H15N/c1-54(96)118-71-67(122-91(114-4)78(120-56(3)98)74(71)119-55(2)97)51-115-138(110,111)135-93-80(132-89(106)64-46-28-12-29-47-64)77(130-87(104)62-42-24-10-25-43-62)73(127-84(101)59-36-18-7-19-37-59)69(124-93)53-117-139(112,113)136-94-81(133-90(107)65-48-30-13-31-49-65)76(129-86(103)61-40-22-9-23-41-61)72(126-83(100)58-34-16-6-17-35-58)68(123-94)52-116-137(108,109)134-92-79(131-88(105)63-44-26-11-27-45-63)75(128-85(102)60-38-20-8-21-39-60)70(66(50-95)121-92)125-82(99)57-32-14-5-15-33-57;3*1-4-7(5-2)6-3/h5-49,66-81,91-95H,50-53H2,1-4H3,(H,108,109)(H,110,111)(H,112,113);3*4-6H2,1-3H3/t66-,67-,68-,69-,70-,71-,72-,73-,74+,75+,76+,77+,78+,79+,80+,81+,91+,92-,93-,94-;;;/m1.../s1 |
| InChIKey | WCHPHVAQEWQPJW-AWNPGZJSSA-N |
| Mol Weight | 2287.2 g/mol |
| Molecular Formula | C112H134N3O42P3 |
| Exact Mass | 2285.765476 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1WornSQly4k |
|---|---|
| Name | METHYL 2,3,4-TRI-O-ACETYL-2',3',4',2,3,4,2',3',4'-NONA-O-BENZOYL-TRIS[(1-6)-ALPHA-D-MANNOPYRANOSYLPHOSPHO]-ALPHA-D-MANNOPYRANOSIDE,TRIS(TRIIETHYLAMMONIUM) SALT |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C112H134N3O42P3 |
| InChI | InChI=1S/C94H89O42P3.3C6H15N/c1-54(96)118-71-67(122-91(114-4)78(120-56(3)98)74(71)119-55(2)97)51-115-138(110,111)135-93-80(132-89(106)64-46-28-12-29-47-64)77(130-87(104)62-42-24-10-25-43-62)73(127-84(101)59-36-18-7-19-37-59)69(124-93)53-117-139(112,113)136-94-81(133-90(107)65-48-30-13-31-49-65)76(129-86(103)61-40-22-9-23-41-61)72(126-83(100)58-34-16-6-17-35-58)68(123-94)52-116-137(108,109)134-92-79(131-88(105)63-44-26-11-27-45-63)75(128-85(102)60-38-20-8-21-39-60)70(66(50-95)121-92)125-82(99)57-32-14-5-15-33-57;3*1-4-7(5-2)6-3/h5-49,66-81,91-95H,50-53H2,1-4H3,(H,108,109)(H,110,111)(H,112,113);3*4-6H2,1-3H3/t66-,67-,68-,69-,70-,71-,72-,73-,74+,75+,76+,77+,78+,79+,80+,81+,91+,92-,93-,94-;;;/m1.../s1 |
| InChIKey | WCHPHVAQEWQPJW-AWNPGZJSSA-N |
| Instrument Name | Bruker WH-90 |
| Literature Reference | A.V.NIKOLAEV, I.A.IVANOVA, V.N.SHIBAEV (1992) Bioorganich.Khim.(Russ. Lang.):v.18, N5, 689-698. |
| NMR Standard | not reported |
| Observed nucleus | 31P |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | CDCl3 chloroform-d |