| SpectraBase Compound ID | 5vXIZk3sCk |
|---|---|
| InChI | InChI=1S/C32H41N5O4/c1-6-18(4)27-29(39)36-12-8-11-24(36)30-37(27)31(40)32(41-30,17(2)3)34-28(38)20-13-22-21-9-7-10-23-26(21)19(15-33-23)14-25(22)35(5)16-20/h7,9-10,13,15,17-18,20,24-25,27,30,33H,6,8,11-12,14,16H2,1-5H3,(H,34,38)/t18?,20-,24?,25?,27+,30?,32+/m1/s1 |
| InChIKey | FJJIUHUJGHRNDZ-ILDBYYFQSA-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 | 25YWv6LAOwi |
|---|---|
| Name | 5'-EPI-BETA-ERGOKRYPTINE |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C32H41N5O4 |
| InChI | InChI=1S/C32H41N5O4/c1-6-18(4)27-29(39)36-12-8-11-24(36)30-37(27)31(40)32(41-30,17(2)3)34-28(38)20-13-22-21-9-7-10-23-26(21)19(15-33-23)14-25(22)35(5)16-20/h7,9-10,13,15,17-18,20,24-25,27,30,33H,6,8,11-12,14,16H2,1-5H3,(H,34,38)/t18?,20-,24?,25?,27+,30?,32+/m1/s1 |
| InChIKey | FJJIUHUJGHRNDZ-ILDBYYFQSA-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 | UWCS3593 |