| SpectraBase Compound ID | IupmdrVq53q |
|---|---|
| InChI | InChI=1S/C31H43NO8S/c1-16-13-29(32-8-9-41-29)31(36)26(38-16)39-22-11-18-4-5-20-19(27(18,2)14-23(22)40-31)6-7-28(3)21(12-24(33)30(20,28)35)17-10-25(34)37-15-17/h8,10,16,18-24,26,33,35-36H,4-7,9,11-15H2,1-3H3/t16-,18+,19+,20-,21-,22-,23-,24-,26+,27+,28-,29+,30-,31-/m1/s1 |
| InChIKey | UWOFZWPBYIPQTH-NAKGAOSKSA-N |
| Mol Weight | 589.7 g/mol |
| Molecular Formula | C31H43NO8S |
| Exact Mass | 589.270939 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AhJJfSF2vS8 |
|---|---|
| Name | 19-DEOXY-15-BETA-HYDROXYUSCHARIN |
| Compound Number | 14 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H43NO8S |
| InChI | InChI=1S/C31H43NO8S/c1-16-13-29(32-8-9-41-29)31(36)26(38-16)39-22-11-18-4-5-20-19(27(18,2)14-23(22)40-31)6-7-28(3)21(12-24(33)30(20,28)35)17-10-25(34)37-15-17/h8,10,16,18-24,26,33,35-36H,4-7,9,11-15H2,1-3H3/t16-,18+,19+,20-,21-,22-,23-,24-,26+,27+,28-,29+,30-,31-/m1/s1 |
| InChIKey | UWOFZWPBYIPQTH-NAKGAOSKSA-N |
| Literature Reference Author | T.WARASHINA,T.NORO |
| Literature Reference Citation | PHYTOCHEM.,37,217(1994) |
| Literature Reference DOI | 10.1016/0031-9422(94)85029-1 |
| Molecular Weight | 589.744 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU23050 |