| SpectraBase Compound ID | LG0zylnpsPm |
|---|---|
| InChI | InChI=1S/C37H40O9/c1-21(2)35-17-23(4)37-27(33(35)44-36(45-35,46-37)19-24-9-7-6-8-10-24)14-26(18-34(41)30(37)13-22(3)32(34)40)20-43-31(39)16-25-11-12-28(38)29(15-25)42-5/h6-15,23,27,30,33,38,41H,1,16-20H2,2-5H3/t23-,27+,30?,33-,34-,35-,36-,37-/m1/s1 |
| InChIKey | DSDNAKHZNJAGHN-TVHRQFNDSA-N |
| Mol Weight | 628.7 g/mol |
| Molecular Formula | C37H40O9 |
| Exact Mass | 628.267233 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8a2bQ5sZqEB |
|---|---|
| Name | 20-(4-HYDROXY-3-METHOXYPHENYLACETATE)-9,13,14-ORTHO-PHENYLACETATE |
| Compound Number | 122 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C37H40O9 |
| InChI | InChI=1S/C37H40O9/c1-21(2)35-17-23(4)37-27(33(35)44-36(45-35,46-37)19-24-9-7-6-8-10-24)14-26(18-34(41)30(37)13-22(3)32(34)40)20-43-31(39)16-25-11-12-28(38)29(15-25)42-5/h6-15,23,27,30,33,38,41H,1,16-20H2,2-5H3/t23-,27+,30?,33-,34-,35-,36-,37-/m1/s1 |
| InChIKey | DSDNAKHZNJAGHN-TVHRQFNDSA-N |
| Literature Reference Author | Q.C.WU,Y.P.TANG,A.W.DING,F.Q.YOU,L.ZHANG,J.A.DUAN |
| Literature Reference Citation | MOLECULES,14,4454(2009) |
| Literature Reference DOI | 10.3390/molecules14114454 |
| Molecular Weight | 628.719 g/mol |
| Sample ID | 70002 |
| Solvent | CDCl3 |