| SpectraBase Compound ID | 97eillCUshv |
|---|---|
| InChI | InChI=1S/C40H47NO15/c1-7-27-29(16-31-28-17-33(47)32(46)15-26(28)13-14-41(31)18-25-11-9-8-10-12-25)30(38(48)49-6)19-51-39(27)56-40-37(54-24(5)45)36(53-23(4)44)35(52-22(3)43)34(55-40)20-50-21(2)42/h7-12,15,17,19,27,29,31,34-37,39-40,46-47H,1,13-14,16,18,20H2,2-6H3/t27-,29+,31?,34?,35?,36?,37?,39+,40?/m1/s1 |
| InChIKey | MQENZWJSKQGFPX-QOPDTLLQSA-N |
| Mol Weight | 781.8 g/mol |
| Molecular Formula | C40H47NO15 |
| Exact Mass | 781.29457 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | mGrqKGjvxX |
|---|---|
| Name | O',O',O',O'-TETRAACETYL-2-DEACETYL-2-BENZYLISOIPECOSIDE |
| Compound Number | 5B-H-1-BETA |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C40H47NO15 |
| InChI | InChI=1S/C40H47NO15/c1-7-27-29(16-31-28-17-33(47)32(46)15-26(28)13-14-41(31)18-25-11-9-8-10-12-25)30(38(48)49-6)19-51-39(27)56-40-37(54-24(5)45)36(53-23(4)44)35(52-22(3)43)34(55-40)20-50-21(2)42/h7-12,15,17,19,27,29,31,34-37,39-40,46-47H,1,13-14,16,18,20H2,2-6H3/t27-,29+,31?,34?,35?,36?,37?,39+,40?/m1/s1 |
| InChIKey | MQENZWJSKQGFPX-QOPDTLLQSA-N |
| Literature Reference Author | G.BEKE,L.F.SZABO,B.PODANYI |
| Literature Reference Citation | J.NAT.PROD.,64,332(2001) |
| Literature Reference DOI | 10.1021/np000326l |
| Molecular Weight | 781.811 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWRU3954 |