| SpectraBase Compound ID | 9WLhK8b9NcT |
|---|---|
| InChI | InChI=1S/C26H36O7/c1-15(2)13-23(31-18(5)27)25(32-19(6)28)22-14-30-26(33-20(7)29)24-17(4)10-8-9-16(3)11-12-21(22)24/h9,13-14,21,23-26H,4,8,10-12H2,1-3,5-7H3/b16-9+/t21-,23+,24+,25-,26-/m0/s1 |
| InChIKey | AKSALEFCWBDVLE-QHFAFXNHSA-N |
| Mol Weight | 460.6 g/mol |
| Molecular Formula | C26H36O7 |
| Exact Mass | 460.246103 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | J4WglEoABBC |
|---|---|
| Name | 13-EPI-9-DEACETOXY-XENICIN |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C26H36O7 |
| InChI | InChI=1S/C26H36O7/c1-15(2)13-23(31-18(5)27)25(32-19(6)28)22-14-30-26(33-20(7)29)24-17(4)10-8-9-16(3)11-12-21(22)24/h9,13-14,21,23-26H,4,8,10-12H2,1-3,5-7H3/b16-9+/t21-,23+,24+,25-,26-/m0/s1 |
| InChIKey | AKSALEFCWBDVLE-QHFAFXNHSA-N |
| Literature Reference Author | B.F.BOWDEN,B.J.CUSACK,A.DANGEL |
| Literature Reference Citation | MAR.DRUGS,1,18(2003) |
| Literature Reference DOI | 10.3390/md101018 |
| Molecular Weight | 460.568 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMZ9313 |