| SpectraBase Compound ID | K1lFtKVm3j0 |
|---|---|
| InChI | InChI=1S/C33H43N5O4/c1-6-18(3)28(32(41)38-29(19(4)7-2)33(42)37-13-9-12-25(37)31(38)40)35-30(39)21-14-23-22-10-8-11-24-27(22)20(16-34-24)15-26(23)36(5)17-21/h8,10-11,14,16,18-19,21,25-26,28-29,34H,6-7,9,12-13,15,17H2,1-5H3,(H,35,39)/t18?,19?,21-,25?,26?,28+,29-/m1/s1 |
| InChIKey | IHDIXBZKTTXKMY-VRSHEUEXSA-N |
| Mol Weight | 573.7 g/mol |
| Molecular Formula | C33H43N5O4 |
| Exact Mass | 573.331505 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IK03TKqhUTk |
|---|---|
| Name | BETA,BETA-ERGOANNAM |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C33H43N5O4 |
| InChI | InChI=1S/C33H43N5O4/c1-6-18(3)28(32(41)38-29(19(4)7-2)33(42)37-13-9-12-25(37)31(38)40)35-30(39)21-14-23-22-10-8-11-24-27(22)20(16-34-24)15-26(23)36(5)17-21/h8,10-11,14,16,18-19,21,25-26,28-29,34H,6-7,9,12-13,15,17H2,1-5H3,(H,35,39)/t18?,19?,21-,25?,26?,28+,29-/m1/s1 |
| InChIKey | IHDIXBZKTTXKMY-VRSHEUEXSA-N |
| Literature Reference Author | M.FLIEGER,P.SEDMERA,J.VOKOUN,Z.REHACEK,J.STUCHLIK,Z.MALINKA, L.CVAK,P.HARAZIM |
| Literature Reference Citation | J.NAT.PROD.,47,970(1984) |
| Literature Reference DOI | 10.1021/np50036a010 |
| Molecular Weight | 573.736 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCS3595 |