| SpectraBase Compound ID | E6AdpIy5tUI |
|---|---|
| InChI | InChI=1S/C22H20O15S/c1-33-9-4-2-8(3-5-9)13-7-11(24)14-10(23)6-12(25)17(18(14)34-13)35-22-20(37-38(30,31)32)16(27)15(26)19(36-22)21(28)29/h2-7,15-16,19-20,22-23,25-27H,1H3,(H,28,29)(H,30,31,32)/p-1/t15-,16-,19-,20+,22+/m1/s1 |
| InChIKey | XRHYTEAKTRSKAB-QEXGSCJRSA-M |
| Mol Weight | 555.44 g/mol |
| Molecular Formula | C22H19O15S |
| Exact Mass | 555.044466 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | D6ASfpiP9Qd |
|---|---|
| Name | ISOSCUTELLAREIN-4'-METHYLETHER-8-O-BETA-D-GLUCURONIDE-2''-SULFATE |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C22H19O15S |
| InChI | InChI=1S/C22H20O15S/c1-33-9-4-2-8(3-5-9)13-7-11(24)14-10(23)6-12(25)17(18(14)34-13)35-22-20(37-38(30,31)32)16(27)15(26)19(36-22)21(28)29/h2-7,15-16,19-20,22-23,25-27H,1H3,(H,28,29)(H,30,31,32)/p-1/t15-,16-,19-,20+,22+/m1/s1 |
| InChIKey | XRHYTEAKTRSKAB-QEXGSCJRSA-M |
| Literature Reference Author | K.KAMIYA,Y.SAIKI,T.HAMA,Y.FUJIMOTO,H.ENDANG,M.UMAR,T.SATAKE |
| Literature Reference Citation | PHYTOCHEM.,57,297(2001) |
| Literature Reference DOI | 10.1016/S0031-9422(01)00005-X |
| Molecular Weight | 555.444 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWVN2191 |