| SpectraBase Compound ID | 2csHscy3rdh |
|---|---|
| InChI | InChI=1S/C49H51NO12/c1-53-47-39(50-49(52)58-31-37-25-15-6-16-26-37)41(55-28-34-19-9-3-10-20-34)40(38(59-47)32-54-27-33-17-7-2-8-18-33)61-48-45(57-30-36-23-13-5-14-24-36)43-42(44(62-48)46(51)60-43)56-29-35-21-11-4-12-22-35/h2-26,38-45,47-48H,27-32H2,1H3,(H,50,52)/t38-,39-,40-,41-,42+,43+,44-,45+,47+,48-/m0/s1 |
| InChIKey | OVMZTOYFFKIJJB-NYMDNWLVSA-N |
| Mol Weight | 845.9 g/mol |
| Molecular Formula | C49H51NO12 |
| Exact Mass | 845.341126 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FDcOXnX7CM5 |
|---|---|
| Name | METHYL-2-(N-BENZYLOXYCARBONYLAMINO)-3,6-DI-O-BENZYL-2-DEOXY-4-(2,4-DI-O-BENZYL-ALPHA-D-GALACTOPYRANOSIDURONO-6,3-LACTONE)-ALPHA-D-GLUCOPYRANOSIDE |
| Compound Number | 25 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C49H51NO12 |
| InChI | InChI=1S/C49H51NO12/c1-53-47-39(50-49(52)58-31-37-25-15-6-16-26-37)41(55-28-34-19-9-3-10-20-34)40(38(59-47)32-54-27-33-17-7-2-8-18-33)61-48-45(57-30-36-23-13-5-14-24-36)43-42(44(62-48)46(51)60-43)56-29-35-21-11-4-12-22-35/h2-26,38-45,47-48H,27-32H2,1H3,(H,50,52)/t38-,39-,40-,41-,42+,43+,44-,45+,47+,48-/m0/s1 |
| InChIKey | OVMZTOYFFKIJJB-NYMDNWLVSA-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 | 845.943 g/mol |
| Sample ID | 42812 |
| Solvent | CDCl3 |