| SpectraBase Compound ID | IqYe3fXqBUg |
|---|---|
| InChI | InChI=1S/C28H44N4O4/c1-9-19(6)23-27(34)29-15-14-20-10-12-21(13-11-20)36-25(18(4)5)24(28(35)30-23)31-26(33)22(32(7)8)16-17(2)3/h10-15,17-19,22-25H,9,16H2,1-8H3,(H,29,34)(H,30,35)(H,31,33)/b15-14-/t19?,22-,23-,24?,25?/m0/s1 |
| InChIKey | OMVRKRVDDRUXPW-PLQCXJGASA-N |
| Mol Weight | 500.7 g/mol |
| Molecular Formula | C28H44N4O4 |
| Exact Mass | 500.336256 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1yVuwPcV2M7 |
|---|---|
| Name | ADOUETINE_X |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C28H44N4O4 |
| InChI | InChI=1S/C28H44N4O4/c1-9-19(6)23-27(34)29-15-14-20-10-12-21(13-11-20)36-25(18(4)5)24(28(35)30-23)31-26(33)22(32(7)8)16-17(2)3/h10-15,17-19,22-25H,9,16H2,1-8H3,(H,29,34)(H,30,35)(H,31,33)/b15-14-/t19?,22-,23-,24?,25?/m0/s1 |
| InChIKey | OMVRKRVDDRUXPW-PLQCXJGASA-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 | 500.682 g/mol |
| Sample ID | 32349 |
| Solvent | CDCl3 |