| SpectraBase Compound ID | 4BqnmYiA2Wb |
|---|---|
| InChI | InChI=1S/C32H33N3O4/c1-22(2)13-18-28(36)35-29-30(25-11-7-4-8-12-25)39-26-16-14-23(15-17-26)19-20-33-31(37)27(34-32(29)38)21-24-9-5-3-6-10-24/h3-20,22,27,29-30H,21H2,1-2H3,(H,33,37)(H,34,38)(H,35,36)/b18-13+,20-19-/t27-,29+,30-/m0/s1 |
| InChIKey | NXIUUPIVEHYUQL-OVJMAEJSSA-N |
| Mol Weight | 523.6 g/mol |
| Molecular Formula | C32H33N3O4 |
| Exact Mass | 523.247107 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1Sy5CPrSyCi |
|---|---|
| Name | DISCARENE-D |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C32H33N3O4 |
| InChI | InChI=1S/C32H33N3O4/c1-22(2)13-18-28(36)35-29-30(25-11-7-4-8-12-25)39-26-16-14-23(15-17-26)19-20-33-31(37)27(34-32(29)38)21-24-9-5-3-6-10-24/h3-20,22,27,29-30H,21H2,1-2H3,(H,33,37)(H,34,38)(H,35,36)/b18-13+,20-19-/t27-,29+,30-/m0/s1 |
| InChIKey | NXIUUPIVEHYUQL-OVJMAEJSSA-N |
| Literature Reference Author | S.R.GIACOMELLI,F.C.MISSAU,M.A.MOSTARDEIRO,U.F.DASILVA,I.I.DA LCOL,N.ZANATTA,A.F.M |
| Literature Reference Citation | J.NAT.PROD.,64,997(2001) |
| Literature Reference DOI | 10.1021/np000552v |
| Molecular Weight | 523.632 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWSI1705 |