| SpectraBase Compound ID | 9H9AQa1JIJc |
|---|---|
| InChI | InChI=1S/C27H36O16/c1-8-18-25(38-11-19(24(33)35-7)27(18,34)9-10-36-13(2)28)43-26-23(41-17(6)32)22(40-16(5)31)21(39-15(4)30)20(42-26)12-37-14(3)29/h8,11,18,20-23,25-26,34H,1,9-10,12H2,2-7H3/t18-,20-,21-,22+,23-,25-,26+,27+/m0/s1 |
| InChIKey | OTHIKNXFHUAWMB-PTPHJPJZSA-N |
| Mol Weight | 616.6 g/mol |
| Molecular Formula | C27H36O16 |
| Exact Mass | 616.200335 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6XkNKypTSz3 |
|---|---|
| Name | 5-HYDROXYSECOLOGANOL-PENTAACETATE |
| Compound Number | 8A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H36O16 |
| InChI | InChI=1S/C27H36O16/c1-8-18-25(38-11-19(24(33)35-7)27(18,34)9-10-36-13(2)28)43-26-23(41-17(6)32)22(40-16(5)31)21(39-15(4)30)20(42-26)12-37-14(3)29/h8,11,18,20-23,25-26,34H,1,9-10,12H2,2-7H3/t18-,20-,21-,22+,23-,25-,26+,27+/m0/s1 |
| InChIKey | OTHIKNXFHUAWMB-PTPHJPJZSA-N |
| Literature Reference Author | S.DAMTOFT,H.FRANZYK,S.R.JENSEN |
| Literature Reference Citation | PHYTOCHEM.,35,705(1994) |
| Literature Reference DOI | 10.1016/S0031-9422(00)90592-2 |
| Molecular Weight | 616.573 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU24671 |