| SpectraBase Compound ID | 2mS43zgQ2K8 |
|---|---|
| InChI | InChI=1S/C23H34O9/c1-6-14(4)8-18(25)28-10-16-11-29-21(32-19(26)7-13(2)3)20-22(16,27)9-17(31-15(5)24)23(20)12-30-23/h11,13-14,17,20-21,27H,6-10,12H2,1-5H3/t14?,17-,20-,21-,22-,23+/m0/s1 |
| InChIKey | DAZJNTWSLAFFAO-KCQZSVNPSA-N |
| Mol Weight | 454.5 g/mol |
| Molecular Formula | C23H34O9 |
| Exact Mass | 454.220283 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FhWQR7ZycWg |
|---|---|
| Name | 11-HOMOHYDROXYLDIHYDROVALTRATE |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C23H34O9 |
| InChI | InChI=1S/C23H34O9/c1-6-14(4)8-18(25)28-10-16-11-29-21(32-19(26)7-13(2)3)20-22(16,27)9-17(31-15(5)24)23(20)12-30-23/h11,13-14,17,20-21,27H,6-10,12H2,1-5H3/t14?,17-,20-,21-,22-,23+/m0/s1 |
| InChIKey | DAZJNTWSLAFFAO-KCQZSVNPSA-N |
| Literature Reference Author | Y.TANG,X.LIU,B.YU |
| Literature Reference Citation | J.NAT.PROD.,65,1949(2002) |
| Literature Reference DOI | 10.1021/np0203335 |
| Molecular Weight | 454.518 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWSI16606 |