| SpectraBase Compound ID | LTQPAvIvTo8 |
|---|---|
| InChI | InChI=1S/C88H84O33P2.2C6H15N/c1-53(89)108-70-68(111-85(104-6)76(110-55(3)91)73(70)109-54(2)90)51-106-122(98,99)121-87-78(119-84(97)61-38-24-12-25-39-61)75(117-82(95)59-34-20-10-21-35-59)72(115-80(93)57-30-16-8-17-31-57)69(113-87)52-107-123(100,101)120-86-77(118-83(96)60-36-22-11-23-37-60)74(116-81(94)58-32-18-9-19-33-58)71(114-79(92)56-28-14-7-15-29-56)67(112-86)50-105-88(62-40-26-13-27-41-62,63-42-46-65(102-4)47-43-63)64-44-48-66(103-5)49-45-64;2*1-4-7(5-2)6-3/h7-49,67-78,85-87H,50-52H2,1-6H3,(H,98,99)(H,100,101);2*4-6H2,1-3H3/t67-,68-,69-,70-,71-,72-,73+,74+,75+,76+,77+,78+,85+,86-,87-;;/m1../s1 |
| InChIKey | PGMPVMHFAAJGHY-ARSVCARNSA-N |
| Mol Weight | 1933.94 g/mol |
| Molecular Formula | C100H114N2O33P2 |
| Exact Mass | 1932.677908 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KpNT5APIBha |
|---|---|
| Name | METHYL-2,3,4-TRI-O-ACETYL-6-[2,3,4-TRI-O-BENZOYL-6-(2,3,4-TRI-O-BENZOYL-6-O-PARA,PARA'-DIMETHOXYTRITYL-ALPHA-D-MANNOPYRANOSYLPHOSPHO)-ALPHA-D-MANNOPYRANOSYLPHOSPHO]-ALPHA-D-MANNOPYRANOSIDE, BIS(TRIETH |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C100H114N2O33P2 |
| InChI | InChI=1S/C88H84O33P2.2C6H15N/c1-53(89)108-70-68(111-85(104-6)76(110-55(3)91)73(70)109-54(2)90)51-106-122(98,99)121-87-78(119-84(97)61-38-24-12-25-39-61)75(117-82(95)59-34-20-10-21-35-59)72(115-80(93)57-30-16-8-17-31-57)69(113-87)52-107-123(100,101)120-86-77(118-83(96)60-36-22-11-23-37-60)74(116-81(94)58-32-18-9-19-33-58)71(114-79(92)56-28-14-7-15-29-56)67(112-86)50-105-88(62-40-26-13-27-41-62,63-42-46-65(102-4)47-43-63)64-44-48-66(103-5)49-45-64;2*1-4-7(5-2)6-3/h7-49,67-78,85-87H,50-52H2,1-6H3,(H,98,99)(H,100,101);2*4-6H2,1-3H3/t67-,68-,69-,70-,71-,72-,73+,74+,75+,76+,77+,78+,85+,86-,87-;;/m1../s1 |
| InChIKey | PGMPVMHFAAJGHY-ARSVCARNSA-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 |