| SpectraBase Compound ID | 9j2CLDDcUlq |
|---|---|
| InChI | InChI=1S/C31H34O15/c1-28-12-30(40-2)19-10-31(28,29(19,27(45-28)46-30)13-42-24(38)14-6-4-3-5-7-14)44-26-23(37)22(36)21(35)18(43-26)11-41-25(39)15-8-16(32)20(34)17(33)9-15/h3-9,18-19,21-23,26-27,32-37H,10-13H2,1-2H3/t18-,19+,21-,22+,23-,26+,27+,28-,29-,30+,31-/m0/s1 |
| InChIKey | VQNYYCZTWCMUQV-WZXUPRAISA-N |
| Mol Weight | 646.6 g/mol |
| Molecular Formula | C31H34O15 |
| Exact Mass | 646.18977 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 | 8adWEwkHB9v |
|---|---|
| Name | 4-O-METHYLGALLOYLPAEONIFLORIN |
| Compound Number | 9 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H34O15 |
| InChI | InChI=1S/C31H34O15/c1-28-12-30(40-2)19-10-31(28,29(19,27(45-28)46-30)13-42-24(38)14-6-4-3-5-7-14)44-26-23(37)22(36)21(35)18(43-26)11-41-25(39)15-8-16(32)20(34)17(33)9-15/h3-9,18-19,21-23,26-27,32-37H,10-13H2,1-2H3/t18-,19+,21-,22+,23-,26+,27+,28-,29-,30+,31-/m0/s1 |
| InChIKey | VQNYYCZTWCMUQV-WZXUPRAISA-N |
| Literature Reference Author | W.J.DUAN,J.Y.YANG,L.X.CHEN,L.J.ZHANG,Z.H.JIANG,X.D.CAI,X.ZHA NG,F.QIU |
| Literature Reference Citation | J.NAT.PROD.,72,1579(2009) |
| Literature Reference DOI | 10.1021/np9001898 |
| Molecular Weight | 646.602 g/mol |
| Sample ID | 33469 |
| Solvent | CD3OD |