| SpectraBase Compound ID | DUtWVe2xxLg |
|---|---|
| InChI | InChI=1S/C21H30O6S/c1-12-17-18(24-4)20(3)13(2)15(26-16(22)9-10-28-6)8-7-14(20)11-21(17,25-5)27-19(12)23/h9-10,13-15,18H,7-8,11H2,1-6H3/b10-9-/t13-,14+,15-,18+,20+,21+/m0/s1 |
| InChIKey | AKVFHSQBKRFJIZ-WXFNBDTDSA-N |
| Mol Weight | 410.53 g/mol |
| Molecular Formula | C21H30O6S |
| Exact Mass | 410.17631 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KVCaNgmIAqa |
|---|---|
| Name | EREMOPETASITENIN-C3 |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C21H30O6S |
| InChI | InChI=1S/C21H30O6S/c1-12-17-18(24-4)20(3)13(2)15(26-16(22)9-10-28-6)8-7-14(20)11-21(17,25-5)27-19(12)23/h9-10,13-15,18H,7-8,11H2,1-6H3/b10-9-/t13-,14+,15-,18+,20+,21+/m0/s1 |
| InChIKey | AKVFHSQBKRFJIZ-WXFNBDTDSA-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 | 410.526 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMS143 |