| SpectraBase Compound ID | 4x4OkYkBqgD |
|---|---|
| InChI | InChI=1S/C27H36O11/c1-3-4-10-34-26-13-24(2)27(36-22-20(31)19(30)18(29)16(12-28)35-22)11-17(26)25(27,23(37-24)38-26)14-33-21(32)15-8-6-5-7-9-15/h5-9,16-20,22-23,28-31H,3-4,10-14H2,1-2H3/t16-,17+,18-,19+,20-,22+,23+,24-,25-,26+,27-/m0/s1 |
| InChIKey | WZGDJBIFNLWZEF-OQPSJGEDSA-N |
| Mol Weight | 536.6 g/mol |
| Molecular Formula | C27H36O11 |
| Exact Mass | 536.225762 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7uZUCe4qTuE |
|---|---|
| Name | 4-O-BUTYLPAEONIFLORIN |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H36O11 |
| InChI | InChI=1S/C27H36O11/c1-3-4-10-34-26-13-24(2)27(36-22-20(31)19(30)18(29)16(12-28)35-22)11-17(26)25(27,23(37-24)38-26)14-33-21(32)15-8-6-5-7-9-15/h5-9,16-20,22-23,28-31H,3-4,10-14H2,1-2H3/t16-,17+,18-,19+,20-,22+,23+,24-,25-,26+,27-/m0/s1 |
| InChIKey | WZGDJBIFNLWZEF-OQPSJGEDSA-N |
| Literature Reference Author | D.T.HA,T.M.NGOC,I.S.LEE,Y.M.LEE,J.S.KIM,H.JUNG,S.M.LEE,M.K.N A,K.H.BAE |
| Literature Reference Citation | J.NAT.PROD.,72,1465(2009) |
| Literature Reference DOI | 10.1021/np9002004 |
| Molecular Weight | 536.576 g/mol |
| Sample ID | 33369 |
| Solvent | CDCl3 |