| SpectraBase Compound ID | 4eGuygb8NHP |
|---|---|
| InChI | InChI=1S/C40H54O16/c1-18-19(2)36(55-35(18)22-13-24(46-4)37(52-10)25(14-22)47-5)23-15-28(50-8)38(29(16-23)51-9)53-20(3)31(42)21-11-26(48-6)39(27(12-21)49-7)56-40-34(45)33(44)32(43)30(17-41)54-40/h11-16,18-20,30-36,40-45H,17H2,1-10H3/t18-,19-,20+,30-,31+,32-,33+,34-,35+,36-,40+/m1/s1 |
| InChIKey | DDICDHYKVDPJPJ-RTBLJILVSA-N |
| Mol Weight | 790.9 g/mol |
| Molecular Formula | C40H54O16 |
| Exact Mass | 790.341186 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 30Ucel784c6 |
|---|---|
| Name | BONASPECTIN-D-4''-O-BETA-GLUCOPYRANOSIDE |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C40H54O16 |
| InChI | InChI=1S/C40H54O16/c1-18-19(2)36(55-35(18)22-13-24(46-4)37(52-10)25(14-22)47-5)23-15-28(50-8)38(29(16-23)51-9)53-20(3)31(42)21-11-26(48-6)39(27(12-21)49-7)56-40-34(45)33(44)32(43)30(17-41)54-40/h11-16,18-20,30-36,40-45H,17H2,1-10H3/t18-,19-,20+,30-,31+,32-,33+,34-,35+,36-,40+/m1/s1 |
| InChIKey | DDICDHYKVDPJPJ-RTBLJILVSA-N |
| Literature Reference Author | B.TOFERN,K.JENETT-SIEMS,K.SIEMS,J.JAKUPOVIC,E.EICH |
| Literature Reference Citation | PHYTOCHEM.,53,119(2000) |
| Literature Reference DOI | 10.1016/S0031-9422(99)00419-7 |
| Molecular Weight | 790.859 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU1608 |