| SpectraBase Compound ID | CirK8ELaM9L |
|---|---|
| InChI | InChI=1S/C28H45N3O5/c1-16(2)24-26(34)29-15-23(33)36-25(19(5)12-17(3)14-28(8,9)10)20(6)18(4)13-22(32)30-21(7)27(35)31(24)11/h12,14,16,20-21,24-25H,4,13,15H2,1-3,5-11H3,(H,29,34)(H,30,32)/b17-14+,19-12+/t20-,21?,24?,25-/m0/s1 |
| InChIKey | WNMROEVYEZDXEL-SLLUHGLGSA-N |
| Mol Weight | 503.7 g/mol |
| Molecular Formula | C28H45N3O5 |
| Exact Mass | 503.335922 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ADMuMHKeXoO |
|---|---|
| Name | (4S,5R)-ANTILLATOXIN |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C28H45N3O5 |
| InChI | InChI=1S/C28H45N3O5/c1-16(2)24-26(34)29-15-23(33)36-25(19(5)12-17(3)14-28(8,9)10)20(6)18(4)13-22(32)30-21(7)27(35)31(24)11/h12,14,16,20-21,24-25H,4,13,15H2,1-3,5-11H3,(H,29,34)(H,30,32)/b17-14+,19-12+/t20-,21?,24?,25-/m0/s1 |
| InChIKey | WNMROEVYEZDXEL-SLLUHGLGSA-N |
| Literature Reference Author | W.I.LI,B.L.MARQUEZ,T.OKINO,F.YOKOKAWA,T.SHIOIRI,W.H.GERWICK, T.F.MURRAY |
| Literature Reference Citation | J.NAT.PROD.,67,559(2004) |
| Literature Reference DOI | 10.1021/np0303409 |
| Molecular Weight | 503.682 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWMZ7066 |