| SpectraBase Compound ID | 5LrTxC1qcfh |
|---|---|
| InChI | InChI=1S/C23H32O8S/c1-21-7-5-18-19(23(21,26)9-6-17(21)14-10-20(25)30-12-14)3-2-15-11-16(31-32(27,28)29)4-8-22(15,18)13-24/h10,13,15-19,26H,2-9,11-12H2,1H3,(H,27,28,29)/t15?,16-,17+,18?,19?,21+,22+,23-/m0/s1 |
| InChIKey | LQKIRCWMZFJFKX-FYZZGNEVSA-N |
| Mol Weight | 468.6 g/mol |
| Molecular Formula | C23H32O8S |
| Exact Mass | 468.181789 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2QaMBG18rQv |
|---|---|
| Name | COROTOXIGENIN-3-O-SULFATE |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C23H32O8S |
| InChI | InChI=1S/C23H32O8S/c1-21-7-5-18-19(23(21,26)9-6-17(21)14-10-20(25)30-12-14)3-2-15-11-16(31-32(27,28)29)4-8-22(15,18)13-24/h10,13,15-19,26H,2-9,11-12H2,1H3,(H,27,28,29)/t15?,16-,17+,18?,19?,21+,22+,23-/m0/s1 |
| InChIKey | LQKIRCWMZFJFKX-FYZZGNEVSA-N |
| Literature Reference Author | G.F.PAULI,U.MATTHIESEN,F.R.FRONCZEK |
| Literature Reference Citation | PHYTOCHEM.,52,1075(1999) |
| Literature Reference DOI | 10.1016/S0031-9422(99)00393-3 |
| Molecular Weight | 468.562 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWVN462 |