| SpectraBase Compound ID | 5pOn5Bx9TF4 |
|---|---|
| InChI | InChI=1S/C48H62BrNO27/c1-22(51)63-19-32-36(66-25(4)54)39(69-28(7)57)42(46(72-32)62-17-13-16-50-35(60)18-49)77-48-44(75-45(61)31-14-11-10-12-15-31)41(38(68-27(6)56)34(74-48)21-65-24(3)53)76-47-43(71-30(9)59)40(70-29(8)58)37(67-26(5)55)33(73-47)20-64-23(2)52/h10-12,14-15,32-34,36-44,46-48H,13,16-21H2,1-9H3,(H,50,60)/t32-,33+,34+,36-,37+,38+,39+,40-,41-,42+,43-,44-,46+,47+,48+/m0/s1 |
| InChIKey | PVLLUMKSNFOWDU-HHEUVLTKSA-N |
| Mol Weight | 1164.9 g/mol |
| Molecular Formula | C48H62BrNO27 |
| Exact Mass | 1163.269259 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BhylQs8uIZI |
|---|---|
| Name | #27;3-(2-BROMOACETAMIDO)-PROPYL-3,4,6-TRI-O-ACETYL-2-O-[4,6-DI-O-ACETYL-3-O-(2,3,4,6-TETRA-O-ACETYL-ALPHA-D-MANNOPYRANOSYL)-2-O-BENZOYL-ALPHA-D-MANNOPYR |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C48H62BrNO27 |
| InChI | InChI=1S/C48H62BrNO27/c1-22(51)63-19-32-36(66-25(4)54)39(69-28(7)57)42(46(72-32)62-17-13-16-50-35(60)18-49)77-48-44(75-45(61)31-14-11-10-12-15-31)41(38(68-27(6)56)34(74-48)21-65-24(3)53)76-47-43(71-30(9)59)40(70-29(8)58)37(67-26(5)55)33(73-47)20-64-23(2)52/h10-12,14-15,32-34,36-44,46-48H,13,16-21H2,1-9H3,(H,50,60)/t32-,33+,34+,36-,37+,38+,39+,40-,41-,42+,43-,44-,46+,47+,48+/m0/s1 |
| InChIKey | PVLLUMKSNFOWDU-HHEUVLTKSA-N |
| Literature Reference Author | C.CARPENTER,S.A.NEPOGODIEV |
| Literature Reference Citation | EUR.J.ORG.CHEM.,3286(2005) |
| Molecular Weight | 1164.915 g/mol |
| Sample ID | 30067 |
| Solvent | CDCl3 |