| SpectraBase Compound ID | AvB2T7wZjbS |
|---|---|
| InChI | InChI=1S/C48H55NO13/c50-38-23-24-39(51)60-45-44(56-29-34-19-9-3-10-20-34)41(55-28-33-17-7-2-8-18-33)36(30-53-27-32-15-5-1-6-16-32)59-48(45)62-43-40(52)47(54-26-14-13-25-49-38)58-37-31-57-46(61-42(37)43)35-21-11-4-12-22-35/h1-12,15-22,36-37,40-48,52H,13-14,23-31H2,(H,49,50)/t36-,37-,40-,41+,42-,43-,44+,45-,46-,47-,48+/m0/s1 |
| InChIKey | WCYQNWUXCYDUCR-BSCQKYSPSA-N |
| Mol Weight | 854.0 g/mol |
| Molecular Formula | C48H55NO13 |
| Exact Mass | 853.367341 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2RK5TzeEp8i |
|---|---|
| Name | 4-AMINOBUTYL-3,4,5-TRI-O-BENZYL-2-O-(3-CARBOXYPROPIONYL)-BETA-D-GALACTOPYRANOSYL-(1->3)-4,6-O-BENZYLIDENE-BETA-D-GLUCOPYRANOSIDE-OMICRON-LACTAM |
| Compound Number | 6B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C48H55NO13 |
| InChI | InChI=1S/C48H55NO13/c50-38-23-24-39(51)60-45-44(56-29-34-19-9-3-10-20-34)41(55-28-33-17-7-2-8-18-33)36(30-53-27-32-15-5-1-6-16-32)59-48(45)62-43-40(52)47(54-26-14-13-25-49-38)58-37-31-57-46(61-42(37)43)35-21-11-4-12-22-35/h1-12,15-22,36-37,40-48,52H,13-14,23-31H2,(H,49,50)/t36-,37-,40-,41+,42-,43-,44+,45-,46-,47-,48+/m0/s1 |
| InChIKey | WCYQNWUXCYDUCR-BSCQKYSPSA-N |
| Literature Reference Author | P.CLAUDE,C.LEHMANN,T.ZIEGLER |
| Literature Reference Citation | BEIL.J.ORG.CHEM.,7,1609(2011) |
| Literature Reference DOI | 10.3762/bjoc.7.189 |
| Molecular Weight | 853.964 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWBT9875 |