| SpectraBase Compound ID | CgnLVNl9ICi |
|---|---|
| InChI | InChI=1S/C21H19N3O5/c1-28-11-5-6-15-13(8-11)20(26)23-7-3-4-16(23)19-22-18-14(21(27)24(15)19)9-12(29-2)10-17(18)25/h5-6,8-10,16,25H,3-4,7H2,1-2H3/t16-/m0/s1 |
| InChIKey | SKCHUVDMAXVDEA-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 | HiRXlrh7utq |
|---|---|
| Name | CIRCUMDATIN-D |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C21H19N3O5 |
| InChI | InChI=1S/C21H19N3O5/c1-28-11-5-6-15-13(8-11)20(26)23-7-3-4-16(23)19-22-18-14(21(27)24(15)19)9-12(29-2)10-17(18)25/h5-6,8-10,16,25H,3-4,7H2,1-2H3/t16-/m0/s1 |
| InChIKey | SKCHUVDMAXVDEA-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 | WANG138 |