| SpectraBase Compound ID | 1poa7VuIzPS |
|---|---|
| InChI | InChI=1S/C22H31NO4/c1-5-6-15-9-8-14-11-12(2)7-10-16(14)22(15,4)20(26)17-19(25)18(13(3)24)23-21(17)27/h5-6,8-9,12-16,18,24,26H,7,10-11H2,1-4H3,(H,23,27)/b6-5+,20-17+/t12-,13?,14-,15-,16-,18?,22-/m0/s1 |
| InChIKey | MOMBVLIMWZDBMW-HDTKOHABSA-N |
| Mol Weight | 373.49 g/mol |
| Molecular Formula | C22H31NO4 |
| Exact Mass | 373.225308 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8cBC7YyJYFL |
|---|---|
| Name | PAECILOSETIN |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C22H31NO4 |
| InChI | InChI=1S/C22H31NO4/c1-5-6-15-9-8-14-11-12(2)7-10-16(14)22(15,4)20(26)17-19(25)18(13(3)24)23-21(17)27/h5-6,8-9,12-16,18,24,26H,7,10-11H2,1-4H3,(H,23,27)/b6-5+,20-17+/t12-,13?,14-,15-,16-,18?,22-/m0/s1 |
| InChIKey | MOMBVLIMWZDBMW-HDTKOHABSA-N |
| Literature Reference Author | G.LANG,J.W.BLUNT,N.J.CUMMINGS,A.L.J.COLE,M.H.G.MUNRO |
| Literature Reference Citation | J.NAT.PROD.,68,810(2005) |
| Literature Reference DOI | 10.1021/np0500979 |
| Molecular Weight | 373.492 g/mol |
| Solvent | ACETONE-D6 |
| Source File Reference | UWMZ10302 |