SpectraBase Compound ID | 5aDFc1necmW |
---|---|
InChI | InChI=1S/C23H28O14/c1-20-6-22(32)12-4-23(20,35-18-16(30)15(29)14(28)11(5-24)34-18)21(12,19(36-20)37-22)7-33-17(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 | YKLQLQKULRFSHE-HJQKCMGASA-N |
Mol Weight | 528.46 g/mol |
Molecular Formula | C23H28O14 |
Exact Mass | 528.147906 g/mol |
SpectraBase Spectrum ID | HUWGBMTIaOG |
---|---|
Name | 8-O-GALLOYL-DESBENZOYLPAEONIFLORIN |
Compound Number | 1 |
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(20,35-18-16(30)15(29)14(28)11(5-24)34-18)21(12,19(36-20)37-22)7-33-17(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 | YKLQLQKULRFSHE-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 | UWLU4899 |