| SpectraBase Compound ID | 6SvDCreNOUZ |
|---|---|
| InChI | InChI=1S/C39H54O5/c1-34(2)22-23-39(33(42)43)21-16-29-37(6)18-14-27-35(3,4)31(44-32(41)13-10-25-8-11-26(40)12-9-25)17-20-36(27,5)28(37)15-19-38(29,7)30(39)24-34/h8-13,16,27-28,30-31,40H,14-15,17-24H2,1-7H3,(H,42,43)/b13-10+/t27?,28?,30?,31-,36-,37+,38+,39+/m0/s1 |
| InChIKey | DISWUMYSZWWBEB-KLRBRHGASA-N |
| Mol Weight | 602.9 g/mol |
| Molecular Formula | C39H54O5 |
| Exact Mass | 602.397125 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | I0bC8KxLyKn |
|---|---|
| Name | ALEURITOLIC-ACID-3-PARA-HYDROXYCINNAMATE |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C39H54O5 |
| InChI | InChI=1S/C39H54O5/c1-34(2)22-23-39(33(42)43)21-16-29-37(6)18-14-27-35(3,4)31(44-32(41)13-10-25-8-11-26(40)12-9-25)17-20-36(27,5)28(37)15-19-38(29,7)30(39)24-34/h8-13,16,27-28,30-31,40H,14-15,17-24H2,1-7H3,(H,42,43)/b13-10+/t27?,28?,30?,31-,36-,37+,38+,39+/m0/s1 |
| InChIKey | DISWUMYSZWWBEB-KLRBRHGASA-N |
| Literature Reference Author | J.A.BEUTLER,Y.KASHMAN,M.TISCHLER,J.H.CARDELLINA,G.N.GRAY,M.J .CURRENS,M.E.WALL,M. |
| Literature Reference Citation | J.NAT.PROD.,58,1039(1995) |
| Literature Reference DOI | 10.1021/np50121a008 |
| Molecular Weight | 602.855 g/mol |
| Solvent | CDCl3:CD3OD=2:1 |
| Source File Reference | UWVP6654 |