| SpectraBase Compound ID | 1N3uJ7y52bq |
|---|---|
| InChI | InChI=1S/C30H50O2/c1-19(2)21-11-14-27(5)17-18-29(7)23(26(21)27)9-10-24-28(6,15-13-25(31)32)22(20(3)4)12-16-30(24,29)8/h20-24,26H,1,9-18H2,2-8H3,(H,31,32)/t21?,22?,23?,24?,26?,27-,28+,29-,30-/m1/s1 |
| InChIKey | YFEMLOPURCNWND-KDQWUEKLSA-N |
| Mol Weight | 442.7 g/mol |
| Molecular Formula | C30H50O2 |
| Exact Mass | 442.381081 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BsxFlk2IuHt |
|---|---|
| Name | DIHYDROCANARIC-ACID;3,4-SECO-LUP-20(29)-EN-3-OIC-ACID |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H50O2 |
| InChI | InChI=1S/C30H50O2/c1-19(2)21-11-14-27(5)17-18-29(7)23(26(21)27)9-10-24-28(6,15-13-25(31)32)22(20(3)4)12-16-30(24,29)8/h20-24,26H,1,9-18H2,2-8H3,(H,31,32)/t21?,22?,23?,24?,26?,27-,28+,29-,30-/m1/s1 |
| InChIKey | YFEMLOPURCNWND-KDQWUEKLSA-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 | 442.726 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWVN4032 |