| SpectraBase Compound ID | KU1SJXbUX4S |
|---|---|
| InChI | InChI=1S/C23H28O14/c1-20-6-22(32)12-4-23(20,21(12,7-24)19(36-20)37-22)35-18-16(30)15(29)14(28)11(34-18)5-33-17(31)8-2-9(25)13(27)10(26)3-8/h2-3,11-12,14-16,18-19,24-30,32H,4-7H2,1H3/t11-,12+,14-,15+,16-,18+,19+,20-,21-,22+,23-/m0/s1 |
| InChIKey | VUMDOEIOARUSRC-HJQKCMGASA-N |
| Mol Weight | 528.46 g/mol |
| Molecular Formula | C23H28O14 |
| Exact Mass | 528.147906 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2hS48DNXJkE |
|---|---|
| Name | 6'-O-GALLOYL-DESBENZOYLPAEONIFLORIN |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C23H28O14 |
| InChI | InChI=1S/C23H28O14/c1-20-6-22(32)12-4-23(20,21(12,7-24)19(36-20)37-22)35-18-16(30)15(29)14(28)11(34-18)5-33-17(31)8-2-9(25)13(27)10(26)3-8/h2-3,11-12,14-16,18-19,24-30,32H,4-7H2,1H3/t11-,12+,14-,15+,16-,18+,19+,20-,21-,22+,23-/m0/s1 |
| InChIKey | VUMDOEIOARUSRC-HJQKCMGASA-N |
| Literature Reference Author | T.TANAKA,M.KATAOKA,N.TSUBOI,I.KOUNO |
| Literature Reference Citation | CHEM.PHARM.BULL.,48,201(2000) |
| Literature Reference DOI | 10.1248/cpb.48.201 |
| Molecular Weight | 528.467 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWLU4901 |