| SpectraBase Compound ID | CmYF7djSZk |
|---|---|
| InChI | InChI=1S/C50H55NO13/c1-55-47(53)46-44(59-30-36-22-12-5-13-23-36)41(52)45(60-31-37-24-14-6-15-25-37)49(64-46)63-42-39(33-57-28-34-18-8-3-9-19-34)62-48(56-2)40(43(42)58-29-35-20-10-4-11-21-35)51-50(54)61-32-38-26-16-7-17-27-38/h3-27,39-46,48-49,52H,28-33H2,1-2H3,(H,51,54)/t39-,40-,41+,42-,43-,44-,45-,46+,48+,49+/m1/s1 |
| InChIKey | UZXPEADELHGODJ-OTEFDJEHSA-N |
| Mol Weight | 878.0 g/mol |
| Molecular Formula | C50H55NO13 |
| Exact Mass | 877.367341 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3PVioFwtvi4 |
|---|---|
| Name | METHYL-2-(N-BENZYLOXYCARBONYL-AMINO)-3,6-DI-O-BENZYL-2-DEOXY-4-(METHYL-2,4-DI-O-BENZYL-ALPHA-D-GALACTOPYRANOSYLURONATE)-ALPHA-D-GLUCOPYRANOSIDE |
| Compound Number | 28 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C50H55NO13 |
| InChI | InChI=1S/C50H55NO13/c1-55-47(53)46-44(59-30-36-22-12-5-13-23-36)41(52)45(60-31-37-24-14-6-15-25-37)49(64-46)63-42-39(33-57-28-34-18-8-3-9-19-34)62-48(56-2)40(43(42)58-29-35-20-10-4-11-21-35)51-50(54)61-32-38-26-16-7-17-27-38/h3-27,39-46,48-49,52H,28-33H2,1-2H3,(H,51,54)/t39-,40-,41+,42-,43-,44-,45-,46+,48+,49+/m1/s1 |
| InChIKey | UZXPEADELHGODJ-OTEFDJEHSA-N |
| Literature Reference Author | L.J.V.D.BOS,R.E.J.N.LITJENS,R.J.B.H.N.V.D.BERG,H.S.OVERKLEEF T,G.A.V.D.MAREL |
| Literature Reference Citation | ORG.LETTERS,7,2007(2005) |
| Literature Reference DOI | 10.1021/ol050491y |
| Molecular Weight | 877.986 g/mol |
| Sample ID | 42815 |
| Solvent | CDCl3 |