| SpectraBase Compound ID | 2EaA0ntvvi0 |
|---|---|
| InChI | InChI=1S/C25H34O7S/c1-8-14(2)22(27)31-21-20-15(3)23(28)32-25(20,29-6)13-17-9-10-18(16(4)24(17,21)5)30-19(26)11-12-33-7/h8,11-12,16-18,21H,9-10,13H2,1-7H3/b12-11-,14-8-/t16-,17+,18-,21+,24+,25-/m0/s1 |
| InChIKey | WAJCGTCCWFRXDF-WFXBQBEPSA-N |
| Mol Weight | 478.6 g/mol |
| Molecular Formula | C25H34O7S |
| Exact Mass | 478.202525 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | A4dwHhUcQYP |
|---|---|
| Name | EREMOPETASITENIN-D2 |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C25H34O7S |
| InChI | InChI=1S/C25H34O7S/c1-8-14(2)22(27)31-21-20-15(3)23(28)32-25(20,29-6)13-17-9-10-18(16(4)24(17,21)5)30-19(26)11-12-33-7/h8,11-12,16-18,21H,9-10,13H2,1-7H3/b12-11-,14-8-/t16-,17+,18-,21+,24+,25-/m0/s1 |
| InChIKey | WAJCGTCCWFRXDF-WFXBQBEPSA-N |
| Literature Reference Author | M.TORI,M.KAWAHARA,M.SONO |
| Literature Reference Citation | PHYTOCHEM.,47,401(1998) |
| Literature Reference DOI | 10.1016/S0031-9422(97)00581-5 |
| Molecular Weight | 478.601 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMS145 |