| SpectraBase Compound ID | III5VNAu6JH |
|---|---|
| InChI | InChI=1S/C49H59NO14/c51-39(24-25-40(52)53)50-26-14-5-15-27-57-48-42(55)46(44-38(61-48)32-60-47(63-44)36-22-12-4-13-23-36)64-49-41(54)45(59-30-35-20-10-3-11-21-35)43(58-29-34-18-8-2-9-19-34)37(62-49)31-56-28-33-16-6-1-7-17-33/h1-4,6-13,16-23,37-38,41-49,54-55H,5,14-15,24-32H2,(H,50,51)(H,52,53)/t37-,38+,41-,42+,43+,44+,45-,46+,47+,48+,49+/m1/s1 |
| InChIKey | JAUDZLZZPIPDCH-AITXNQLVSA-N |
| Mol Weight | 886.0 g/mol |
| Molecular Formula | C49H59NO14 |
| Exact Mass | 885.393556 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | K5IWPy0DNPb |
|---|---|
| Name | 5-(3-HYDROXYCARBONYLPROPANAMIDO)-PENTYL-3,4,6-TRI-O-BENZYL-BETA-D-GALACTOPYRANOSYL-(1->3)-4,6-O-BENZYLIDENE-BETA-D-GLUCOPYRANOSIDE |
| Compound Number | 9 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C49H59NO14 |
| InChI | InChI=1S/C49H59NO14/c51-39(24-25-40(52)53)50-26-14-5-15-27-57-48-42(55)46(44-38(61-48)32-60-47(63-44)36-22-12-4-13-23-36)64-49-41(54)45(59-30-35-20-10-3-11-21-35)43(58-29-34-18-8-2-9-19-34)37(62-49)31-56-28-33-16-6-1-7-17-33/h1-4,6-13,16-23,37-38,41-49,54-55H,5,14-15,24-32H2,(H,50,51)(H,52,53)/t37-,38+,41-,42+,43+,44+,45-,46+,47+,48+,49+/m1/s1 |
| InChIKey | JAUDZLZZPIPDCH-AITXNQLVSA-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 | 886.006 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWBT9881 |