| SpectraBase Compound ID | AROqA8LIAbs |
|---|---|
| InChI | InChI=1S/C31H35NO7/c1-14-10-30-11-18-24-29(4)12-19(37-15(2)33)27(38-16(3)34)31(24)25(30)23(39-28(36)17-8-6-5-7-9-17)20(14)22(35)21(30)26(31)32(18)13-29/h5-9,18-27,35H,1,10-13H2,2-4H3/t18-,19-,20+,21?,22?,23-,24+,25-,26?,27-,29+,30+,31-/m1/s1 |
| InChIKey | JIFBUQVKBPNFCW-FOFCFZDBSA-N |
| Mol Weight | 533.6 g/mol |
| Molecular Formula | C31H35NO7 |
| Exact Mass | 533.241352 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EcRff25uV3u |
|---|---|
| Name | PANICULATINE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H35NO7 |
| InChI | InChI=1S/C31H35NO7/c1-14-10-30-11-18-24-29(4)12-19(37-15(2)33)27(38-16(3)34)31(24)25(30)23(39-28(36)17-8-6-5-7-9-17)20(14)22(35)21(30)26(31)32(18)13-29/h5-9,18-27,35H,1,10-13H2,2-4H3/t18-,19-,20+,21?,22?,23-,24+,25-,26?,27-,29+,30+,31-/m1/s1 |
| InChIKey | JIFBUQVKBPNFCW-FOFCFZDBSA-N |
| Literature Reference Author | A.KATZ |
| Literature Reference Citation | J.NAT.PROD.,52,430(1989) |
| Literature Reference DOI | 10.1021/np50062a044 |
| Molecular Weight | 533.621 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWTS1123 |