| SpectraBase Compound ID | GHAvIZ4jJ0N |
|---|---|
| InChI | InChI=1S/C21H19N3O5/c1-28-12-5-6-15-14(10-12)20(26)23-8-3-4-16(23)19-22-9-7-13(29-2)11-17(22)18(25)21(27)24(15)19/h5-7,9-11,16H,3-4,8H2,1-2H3/t16-/m0/s1 |
| InChIKey | GOJYLVXDLUYFTI-INIZCTEOSA-N |
| Mol Weight | 393.4 g/mol |
| Molecular Formula | C21H19N3O5 |
| Exact Mass | 393.132471 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DZzX20XM86t |
|---|---|
| Name | CIRCUMDATIN-A |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C21H19N3O5 |
| InChI | InChI=1S/C21H19N3O5/c1-28-12-5-6-15-14(10-12)20(26)23-8-3-4-16(23)19-22-9-7-13(29-2)11-17(22)18(25)21(27)24(15)19/h5-7,9-11,16H,3-4,8H2,1-2H3/t16-/m0/s1 |
| InChIKey | GOJYLVXDLUYFTI-INIZCTEOSA-N |
| Literature Reference Author | L.RAHBAEK,J.BREINHOLT |
| Literature Reference Citation | J.NAT.PROD.,62,904(1999) |
| Literature Reference DOI | 10.1021/np980495u |
| Molecular Weight | 393.399 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | WANG135 |