| SpectraBase Compound ID | IJdoUdMdQTq |
|---|---|
| InChI | InChI=1S/C25H35NO4/c1-6-7-8-9-18-15(3)13-17-12-14(2)10-11-19(17)25(18,5)23(29)20-22(28)21(16(4)27)26-24(20)30/h6-9,13-14,16-19,21,27,29H,10-12H2,1-5H3,(H,26,30)/b7-6+,9-8+,23-20+/t14-,16?,17+,18-,19-,21?,25-/m1/s1 |
| InChIKey | ISHIUSZGAFLPLK-MSLMHWDWSA-N |
| Mol Weight | 413.6 g/mol |
| Molecular Formula | C25H35NO4 |
| Exact Mass | 413.256609 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | xHmvm3G8YO |
|---|---|
| Name | CONIOSETIN |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C25H35NO4 |
| InChI | InChI=1S/C25H35NO4/c1-6-7-8-9-18-15(3)13-17-12-14(2)10-11-19(17)25(18,5)23(29)20-22(28)21(16(4)27)26-24(20)30/h6-9,13-14,16-19,21,27,29H,10-12H2,1-5H3,(H,26,30)/b7-6+,9-8+,23-20+/t14-,16?,17+,18-,19-,21?,25-/m1/s1 |
| InChIKey | ISHIUSZGAFLPLK-MSLMHWDWSA-N |
| Literature Reference Author | M.P.SEGETH,A.BONNEFOY,M.BROENSTRUP,M.KNAUF,D.SCHUMMER,L.TOTI ,L.VERTESY,M.C.WETZE |
| Literature Reference Citation | J.ANTIBIOTICS,56,114(2003) |
| Literature Reference DOI | 10.7164/antibiotics.56.114 |
| Molecular Weight | 413.557 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWSI4425 |