| SpectraBase Compound ID | Ju0SbYj0TLa |
|---|---|
| InChI | InChI=1S/C64H65O20P.C6H15N/c1-2-3-4-5-6-7-8-27-40-75-85(72,73)84-64-56(82-62(71)48-38-25-14-26-39-48)54(80-60(69)46-34-21-12-22-35-46)52(50(77-64)42-74-57(66)43-28-15-9-16-29-43)83-63-55(81-61(70)47-36-23-13-24-37-47)53(79-59(68)45-32-19-11-20-33-45)51(49(41-65)76-63)78-58(67)44-30-17-10-18-31-44;1-4-7(5-2)6-3/h2,9-26,28-39,49-56,63-65H,1,3-8,27,40-42H2,(H,72,73);4-6H2,1-3H3/t49-,50+,51+,52+,53+,54-,55-,56-,63+,64+;/m1./s1 |
| InChIKey | YDDKESASWUKKJY-QJIXBWEGSA-N |
| Mol Weight | 1286.4 g/mol |
| Molecular Formula | C70H80NO20P |
| Exact Mass | 1285.501131 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4yDUr0h5ZQA |
|---|---|
| Name | DEC-9-ENYL-2,3,4-TRI-O-BENZOYL-BETA-D-GALACTOPYRANOSYL-(1->4)-2,3,6-TRI-O-BENZOYL-ALPHA-D-MANNOPYRANOSYLPHOSPHATE-TRIETHYLAMMONIUM-SALT |
| Compound Number | 17 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C70H80NO20P |
| InChI | InChI=1S/C64H65O20P.C6H15N/c1-2-3-4-5-6-7-8-27-40-75-85(72,73)84-64-56(82-62(71)48-38-25-14-26-39-48)54(80-60(69)46-34-21-12-22-35-46)52(50(77-64)42-74-57(66)43-28-15-9-16-29-43)83-63-55(81-61(70)47-36-23-13-24-37-47)53(79-59(68)45-32-19-11-20-33-45)51(49(41-65)76-63)78-58(67)44-30-17-10-18-31-44;1-4-7(5-2)6-3/h2,9-26,28-39,49-56,63-65H,1,3-8,27,40-42H2,(H,72,73);4-6H2,1-3H3/t49-,50+,51+,52+,53+,54-,55-,56-,63+,64+;/m1./s1 |
| InChIKey | YDDKESASWUKKJY-QJIXBWEGSA-N |
| Literature Reference Author | A.V.NIKOLAEV,T.J.RUTHERFORD,M.A.J.FERGUSON,J.S.BRIMACOMBE |
| Literature Reference Citation | J.CHEM.SOC.PERKIN-1,1559(1996) |
| Literature Reference DOI | 10.1039/p19960001559 |
| Molecular Weight | 1286.374 g/mol |
| Solvent | CDCl3 |