![METHYL-12-[2-(6-BENZYLOXY-2-HYDROXYBENZOYL)-VINYL]-DEHYDROABIETATE](/api/spectrum/1xuFbIVOFhh/structure.png?h=300&w=458 "METHYL-12-[2-(6-BENZYLOXY-2-HYDROXYBENZOYL)-VINYL]-DEHYDROABIETATE")
| SpectraBase Compound ID | 30msxHZfVQG |
|---|---|
| InChI | InChI=1S/C37H42O5/c1-24(2)28-21-27-16-18-33-36(3,19-10-20-37(33,4)35(40)41-5)29(27)22-26(28)15-17-31(39)34-30(38)13-9-14-32(34)42-23-25-11-7-6-8-12-25/h6-9,11-15,17,21-22,24,33,38H,10,16,18-20,23H2,1-5H3/b17-15+/t33-,36-,37-/m1/s1 |
| InChIKey | JPCRIXZWFMAXBV-YVAXOQKDSA-N |
| Mol Weight | 566.7 g/mol |
| Molecular Formula | C37H42O5 |
| Exact Mass | 566.303224 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1xuFbIVOFhh |
|---|---|
| Name | METHYL-12-[2-(6-BENZYLOXY-2-HYDROXYBENZOYL)-VINYL]-DEHYDROABIETATE |
| Compound Number | 4C |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C37H42O5 |
| InChI | InChI=1S/C37H42O5/c1-24(2)28-21-27-16-18-33-36(3,19-10-20-37(33,4)35(40)41-5)29(27)22-26(28)15-17-31(39)34-30(38)13-9-14-32(34)42-23-25-11-7-6-8-12-25/h6-9,11-15,17,21-22,24,33,38H,10,16,18-20,23H2,1-5H3/b17-15+/t33-,36-,37-/m1/s1 |
| InChIKey | JPCRIXZWFMAXBV-YVAXOQKDSA-N |
| Literature Reference Author | S.M.C.S.MONTEIRO,A.J.D.SILVESTRE,A.M.S.SILVA,J.A.S.CAVALEIRO |
| Literature Reference Citation | MH.CHEM.,139,1119(2008) |
| Literature Reference DOI | 10.1007/s00706-008-0889-1 |
| Molecular Weight | 566.737 g/mol |
| Sample ID | 40070 |
| Solvent | CDCl3 |