| SpectraBase Compound ID | CnxHAxU6Xx8 |
|---|---|
| InChI | InChI=1S/C31H50O2/c1-20(2)22-12-15-28(5)18-19-30(7)24(27(22)28)10-11-25-29(6,16-14-26(32)33-9)23(21(3)4)13-17-31(25,30)8/h22-25,27H,1,3,10-19H2,2,4-9H3/t22?,23?,24?,25?,27?,28-,29+,30-,31-/m1/s1 |
| InChIKey | QSMKZPFEDLONIK-QIRIVDMBSA-N |
| Mol Weight | 454.7 g/mol |
| Molecular Formula | C31H50O2 |
| Exact Mass | 454.381081 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JuWHyCq84fZ |
|---|---|
| Name | CANARIC-ACID-METHYLESTER |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H50O2 |
| InChI | InChI=1S/C31H50O2/c1-20(2)22-12-15-28(5)18-19-30(7)24(27(22)28)10-11-25-29(6,16-14-26(32)33-9)23(21(3)4)13-17-31(25,30)8/h22-25,27H,1,3,10-19H2,2,4-9H3/t22?,23?,24?,25?,27?,28-,29+,30-,31-/m1/s1 |
| InChIKey | QSMKZPFEDLONIK-QIRIVDMBSA-N |
| Literature Reference Author | L.F.G.AMARAL,S.G.LEITAO,F.D.MONACHE,G.G.LEITAO |
| Literature Reference Citation | FITOTERAPIA,72,441(2001) |
| Literature Reference DOI | 10.1016/S0367-326X(00)00279-3 |
| Molecular Weight | 454.737 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWVN4033 |