| SpectraBase Compound ID | 8ovFMXlOXSa |
|---|---|
| InChI | InChI=1S/C34H40N4O4/c1-23(2)31-30(37-33(40)29(38(3)4)22-26-13-9-6-10-14-26)34(41)36-28(21-25-11-7-5-8-12-25)32(39)35-20-19-24-15-17-27(42-31)18-16-24/h5-20,23,28-31H,21-22H2,1-4H3,(H,35,39)(H,36,41)(H,37,40)/b20-19-/t28-,29-,30?,31?/m0/s1 |
| InChIKey | PEINZJYANJZEKK-ABMTVLNDSA-N |
| Mol Weight | 568.7 g/mol |
| Molecular Formula | C34H40N4O4 |
| Exact Mass | 568.304956 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DV5MR89Mew1 |
|---|---|
| Name | SCUTIANINE_B |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C34H40N4O4 |
| InChI | InChI=1S/C34H40N4O4/c1-23(2)31-30(37-33(40)29(38(3)4)22-26-13-9-6-10-14-26)34(41)36-28(21-25-11-7-5-8-12-25)32(39)35-20-19-24-15-17-27(42-31)18-16-24/h5-20,23,28-31H,21-22H2,1-4H3,(H,35,39)(H,36,41)(H,37,40)/b20-19-/t28-,29-,30?,31?/m0/s1 |
| InChIKey | PEINZJYANJZEKK-ABMTVLNDSA-N |
| Literature Reference Author | G.TREVISAN,G.MALDANER,N.A.VELLOSO,G.D.S.SANTANNA,V.ILHA,C.D. C.V.GEWEHR,M.A.RUBIN |
| Literature Reference Citation | J.NAT.PROD.,72,608(2009) |
| Literature Reference DOI | 10.1021/np800377y |
| Molecular Weight | 568.716 g/mol |
| Sample ID | 32347 |
| Solvent | CDCl3 |