| SpectraBase Compound ID | BYzsdxBc3D4 |
|---|---|
| InChI | InChI=1S/C29H36O18/c1-11(30)38-10-18-19(40-12(2)31)20(41-13(3)32)21(42-14(4)33)26(44-18)45-27-22-28(7)23(47-28)24(43-15(5)34)29(22,46-16(6)35)17(9-39-27)25(36)37-8/h9,18-24,26-27H,10H2,1-8H3/t18-,19-,20+,21-,22+,23-,24+,26+,27-,28+,29-/m0/s1 |
| InChIKey | VNEYPRWFMSHACK-CUDKJWCUSA-N |
| Mol Weight | 672.6 g/mol |
| Molecular Formula | C29H36O18 |
| Exact Mass | 672.190164 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6I7C77MmC1V |
|---|---|
| Name | SESAMOSIDE-PENTAACETATE |
| Compound Number | 6A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H36O18 |
| InChI | InChI=1S/C29H36O18/c1-11(30)38-10-18-19(40-12(2)31)20(41-13(3)32)21(42-14(4)33)26(44-18)45-27-22-28(7)23(47-28)24(43-15(5)34)29(22,46-16(6)35)17(9-39-27)25(36)37-8/h9,18-24,26-27H,10H2,1-8H3/t18-,19-,20+,21-,22+,23-,24+,26+,27-,28+,29-/m0/s1 |
| InChIKey | VNEYPRWFMSHACK-CUDKJWCUSA-N |
| Literature Reference Author | R.KASAI,M.KATAGIRI,K.OHTANI,K.YAMASAKI,C.R.YANG,O.TANAKA |
| Literature Reference Citation | PHYTOCHEM.,36,967(1994) |
| Literature Reference DOI | 10.1016/S0031-9422(00)90473-4 |
| Molecular Weight | 672.594 g/mol |
| Solvent | D2O |
| Source File Reference | UWMS26021 |