| SpectraBase Compound ID | C6wp03n91gF |
|---|---|
| InChI | InChI=1S/C31H41NO9S/c1-16-11-30(32-7-8-42-30)31(37)26(39-16)40-22-10-18-3-4-20-19(28(18,15-33)13-23(22)41-31)5-6-27(2)25(17-9-24(35)38-14-17)21(34)12-29(20,27)36/h7,9,15-16,18-23,25-26,34,36-37H,3-6,8,10-14H2,1-2H3/t16-,18+,19+,20-,21-,22-,23-,25+,26+,27-,28-,29+,30+,31-/m1/s1 |
| InChIKey | WHPLQBQPUGBPJI-ZHAKUJFNSA-N |
| Mol Weight | 603.7 g/mol |
| Molecular Formula | C31H41NO9S |
| Exact Mass | 603.250203 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Hzh14xOYWcz |
|---|---|
| Name | 16-ALPHA-HYDROXYUSCHARIN |
| Compound Number | 22 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H41NO9S |
| InChI | InChI=1S/C31H41NO9S/c1-16-11-30(32-7-8-42-30)31(37)26(39-16)40-22-10-18-3-4-20-19(28(18,15-33)13-23(22)41-31)5-6-27(2)25(17-9-24(35)38-14-17)21(34)12-29(20,27)36/h7,9,15-16,18-23,25-26,34,36-37H,3-6,8,10-14H2,1-2H3/t16-,18+,19+,20-,21-,22-,23-,25+,26+,27-,28-,29+,30+,31-/m1/s1 |
| InChIKey | WHPLQBQPUGBPJI-ZHAKUJFNSA-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 | 603.728 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWLU23058 |