| SpectraBase Compound ID | 73ClcNdtUBJ |
|---|---|
| InChI | InChI=1S/C40H70N2O24/c1-40(2,3)66-39(57)41-13-17-23(47)27(51)29(53)34(60-17)35(56)42-22-26(50)32(20(16-45)63-36(22)59-12-10-8-6-5-7-9-11-21(46)58-4)64-38-31(55)33(25(49)19(15-44)62-38)65-37-30(54)28(52)24(48)18(14-43)61-37/h17-20,22-34,36-38,43-45,47-55H,5-16H2,1-4H3,(H,41,57)(H,42,56)/t17-,18-,19-,20-,22-,23-,24+,25+,26-,27+,28+,29-,30-,31-,32-,33+,34-,36-,37-,38+/m1/s1 |
| InChIKey | QLKLCAWBFOWLAD-NKIWRDSFSA-N |
| Mol Weight | 963.0 g/mol |
| Molecular Formula | C40H70N2O24 |
| Exact Mass | 962.431851 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Kx2mfStJWGW |
|---|---|
| Name | #8J;8-METHOXYCARBONYLOCTYL-ALPHA-D-GALACTOPYRANOSYL-(1->3)-BETA-D-GALACTOPYRANOSYL-(1->4)-2-DEOXY-2-(1-DEOXY-1-TERT.-BUTOXYCARBONYLAMINOMETHYL-BETA-D-GLUCOHEX |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C40H70N2O24 |
| InChI | InChI=1S/C40H70N2O24/c1-40(2,3)66-39(57)41-13-17-23(47)27(51)29(53)34(60-17)35(56)42-22-26(50)32(20(16-45)63-36(22)59-12-10-8-6-5-7-9-11-21(46)58-4)64-38-31(55)33(25(49)19(15-44)62-38)65-37-30(54)28(52)24(48)18(14-43)61-37/h17-20,22-34,36-38,43-45,47-55H,5-16H2,1-4H3,(H,41,57)(H,42,56)/t17-,18-,19-,20-,22-,23-,24+,25+,26-,27+,28+,29-,30-,31-,32-,33+,34-,36-,37-,38+/m1/s1 |
| InChIKey | QLKLCAWBFOWLAD-NKIWRDSFSA-N |
| Literature Reference Author | O.SCHWARDT,G.BAISCH,R.OEHRLEIN |
| Literature Reference Citation | BIOORG.MED.CHEM.,9,1857(2001) |
| Literature Reference DOI | 10.1016/S0968-0896(01)00086-4 |
| Molecular Weight | 962.995 g/mol |
| Solvent | D2O |
| Source File Reference | UWMS22016 |