| SpectraBase Compound ID | A4pI8b5yqvH |
|---|---|
| InChI | InChI=1S/C39H65NO12/c1-18-7-12-39(40-15-18)19(2)28-25(52-39)14-24-22-6-5-20-13-21(8-10-37(20,3)23(22)9-11-38(24,28)4)48-35-33(47)31(45)34(27(17-42)50-35)51-36-32(46)30(44)29(43)26(16-41)49-36/h18-36,40-47H,5-17H2,1-4H3/t18-,19-,20-,21-,22?,23?,24?,25?,26-,27+,28?,29-,30+,31+,32-,33+,34-,35+,36+,37-,38-,39?/m0/s1 |
| InChIKey | KNFKROLCBJOHLX-UAUJYTPBSA-N |
| Mol Weight | 739.9 g/mol |
| Molecular Formula | C39H65NO12 |
| Exact Mass | 739.450677 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ARxGIY3eDFI |
|---|---|
| Name | LYCOPEROSIDE-D;TOMATIDINE-3-O-[BETA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-GALACTOPYRANOSIDE;GAMMA-TOMATINE |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C39H65NO12 |
| InChI | InChI=1S/C39H65NO12/c1-18-7-12-39(40-15-18)19(2)28-25(52-39)14-24-22-6-5-20-13-21(8-10-37(20,3)23(22)9-11-38(24,28)4)48-35-33(47)31(45)34(27(17-42)50-35)51-36-32(46)30(44)29(43)26(16-41)49-36/h18-36,40-47H,5-17H2,1-4H3/t18-,19-,20-,21-,22?,23?,24?,25?,26-,27+,28?,29-,30+,31+,32-,33+,34-,35+,36+,37-,38-,39?/m0/s1 |
| InChIKey | KNFKROLCBJOHLX-UAUJYTPBSA-N |
| Literature Reference Author | S.YAHARA,N.UDA,T.NOHARA |
| Literature Reference Citation | PHYTOCHEM.,42,169(1996) |
| Literature Reference DOI | 10.1016/0031-9422(95)00854-3 |
| Molecular Weight | 739.945 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWLU3258 |