| SpectraBase Compound ID | IFs1gEoHEmr |
|---|---|
| InChI | InChI=1S/C85H98N4O24/c1-52(2)105-83-76(113-84(95)85(4,5)6)70(102-48-58-38-24-13-25-39-58)72(74(112-83)79(94)97-8)110-81-64(88-89-86)68(100-46-56-34-20-11-21-35-56)66(62(107-81)50-98-44-54-30-16-9-17-31-54)108-82-75(103-49-59-40-26-14-27-41-59)69(101-47-57-36-22-12-23-37-57)71(73(111-82)78(93)96-7)109-80-63(87-53(3)90)67(99-45-55-32-18-10-19-33-55)65(91)61(106-80)51-104-77(92)60-42-28-15-29-43-60/h9-43,52,61-76,80-83,91H,44-51H2,1-8H3,(H,87,90)/t61-,62-,63-,64-,65-,66-,67-,68-,69+,70+,71+,72+,73-,74-,75-,76-,80-,81-,82-,83-/m1/s1 |
| InChIKey | AYUJVLPEOUSPHK-BWUSMWNHSA-N |
| Mol Weight | 1559.7 g/mol |
| Molecular Formula | C85H98N4O24 |
| Exact Mass | 1558.6571 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LP8ovnmmHmk |
|---|---|
| Name | #23;METHYL-[ISOPROPYL-O-(2-ACETAMIDO-6-O-BENZOYL-3-O-BENZYL-2-DEOXY-ALPHA-D-GLUCOPYRANOSYL-(1->4)-O-(METHYL-2,3-DI-O-BENZYL-ALPHA-L-IDOPYRANOSYLURONATE-(1->4)- |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C85H98N4O24 |
| InChI | InChI=1S/C85H98N4O24/c1-52(2)105-83-76(113-84(95)85(4,5)6)70(102-48-58-38-24-13-25-39-58)72(74(112-83)79(94)97-8)110-81-64(88-89-86)68(100-46-56-34-20-11-21-35-56)66(62(107-81)50-98-44-54-30-16-9-17-31-54)108-82-75(103-49-59-40-26-14-27-41-59)69(101-47-57-36-22-12-23-37-57)71(73(111-82)78(93)96-7)109-80-63(87-53(3)90)67(99-45-55-32-18-10-19-33-55)65(91)61(106-80)51-104-77(92)60-42-28-15-29-43-60/h9-43,52,61-76,80-83,91H,44-51H2,1-8H3,(H,87,90)/t61-,62-,63-,64-,65-,66-,67-,68-,69+,70+,71+,72+,73-,74-,75-,76-,80-,81-,82-,83-/m1/s1 |
| InChIKey | AYUJVLPEOUSPHK-BWUSMWNHSA-N |
| Literature Reference Author | R.OJEDA,J.ANGULO,P.M.NIETO,M.MARTIN-LOMAS |
| Literature Reference Citation | CAN.J.CHEM.,80,917(2002) |
| Literature Reference DOI | 10.1139/v02-023 |
| Molecular Weight | 1559.726 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU29960 |