| SpectraBase Compound ID | 9RpKpRdDFwC |
|---|---|
| InChI | InChI=1S/C22H20O15S.Na/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);/q;+1/p-1/t15-,16-,19-,20+,22+;/m1./s1 |
| InChIKey | YNIQMBIKXJQIQA-HRNZSKTESA-M |
| Mol Weight | 578.43 g/mol |
| Molecular Formula | C22H19NaO15S |
| Exact Mass | 578.034235 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3swW42hy3vN |
|---|---|
| Name | TAKAKIN-8-O-BETA-GLUCURONIDE-2''-SODIUM-SULPHATE |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C22H19NaO15S |
| InChI | InChI=1S/C22H20O15S.Na/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);/q;+1/p-1/t15-,16-,19-,20+,22+;/m1./s1 |
| InChIKey | YNIQMBIKXJQIQA-HRNZSKTESA-M |
| Literature Reference Author | Z.T.CHEN,S.W.LEE,C.M.CHEN |
| Literature Reference Citation | HETEROCYCLES,38,1399(1994) |
| Literature Reference DOI | 10.3987/COM-94-6710 |
| Molecular Weight | 578.434 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | WANG1042 |