| SpectraBase Compound ID | L2EdadV4AL1 |
|---|---|
| InChI | InChI=1S/C32H41N5O4/c1-17(2)12-26-29(39)36-11-7-10-24(36)30-37(26)31(40)32(41-30,18(3)4)34-28(38)20-13-22-21-8-6-9-23-27(21)19(15-33-23)14-25(22)35(5)16-20/h6,8-9,13,15,17-18,20,24-26,30,33H,7,10-12,14,16H2,1-5H3,(H,34,38)/t20-,24?,25?,26-,30?,32+/m1/s1 |
| InChIKey | WQEAXEKHBQNDNK-YUJADQEBSA-N |
| Mol Weight | 559.7 g/mol |
| Molecular Formula | C32H41N5O4 |
| Exact Mass | 559.315855 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8zZoaWPqIAE |
|---|---|
| Name | ALPHA-ERGOKRYPTINE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C32H41N5O4 |
| InChI | InChI=1S/C32H41N5O4/c1-17(2)12-26-29(39)36-11-7-10-24(36)30-37(26)31(40)32(41-30,18(3)4)34-28(38)20-13-22-21-8-6-9-23-27(21)19(15-33-23)14-25(22)35(5)16-20/h6,8-9,13,15,17-18,20,24-26,30,33H,7,10-12,14,16H2,1-5H3,(H,34,38)/t20-,24?,25?,26-,30?,32+/m1/s1 |
| InChIKey | WQEAXEKHBQNDNK-YUJADQEBSA-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 | 559.709 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCS3591 |