| SpectraBase Compound ID | FnEgchqgjHf |
|---|---|
| InChI | InChI=1S/C27H36O17/c1-11(28)37-10-17-18(38-12(2)29)19(39-13(3)30)20(40-14(4)31)24(43-17)44-25-21-26(7,34)22(41-15(5)32)23(42-16(6)33)27(21,35)8-9-36-25/h8-9,17-25,34-35H,10H2,1-7H3/t17-,18-,19+,20-,21?,22-,23+,24+,25-,26+,27-/m0/s1 |
| InChIKey | BEYCLQSEKKYTRO-VNCQKEJJSA-N |
| Mol Weight | 632.6 g/mol |
| Molecular Formula | C27H36O17 |
| Exact Mass | 632.19525 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4tf2XnvDstF |
|---|---|
| Name | 6-BETA-ACETYL-7-BETA-HYDROXYHARPAGIDE |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H36O17 |
| InChI | InChI=1S/C27H36O17/c1-11(28)37-10-17-18(38-12(2)29)19(39-13(3)30)20(40-14(4)31)24(43-17)44-25-21-26(7,34)22(41-15(5)32)23(42-16(6)33)27(21,35)8-9-36-25/h8-9,17-25,34-35H,10H2,1-7H3/t17-,18-,19+,20-,21?,22-,23+,24+,25-,26+,27-/m0/s1 |
| InChIKey | BEYCLQSEKKYTRO-VNCQKEJJSA-N |
| Literature Reference Author | A.BIANCO,M.GUISO,G.PELLEGRINI,M.NICOLETTI,M.SERAFINI |
| Literature Reference Citation | PHYTOCHEM.,44,1515(1997) |
| Literature Reference DOI | 10.1016/S0031-9422(96)00717-0 |
| Molecular Weight | 632.573 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWAN86 |