| SpectraBase Compound ID | GXMF362GwN |
|---|---|
| InChI | InChI=1S/C33H43N5O5/c1-18(2)13-26-30(40)37-12-8-11-27(37)33(42-6)38(26)31(41)32(43-33,19(3)4)35-29(39)21-14-23-22-9-7-10-24-28(22)20(16-34-24)15-25(23)36(5)17-21/h7,9-10,14,16,18-19,21,25-27,34H,8,11-13,15,17H2,1-6H3,(H,35,39)/t21-,25?,26+,27+,32-,33+/m1/s1 |
| InChIKey | IBKONBFVCDMGDA-LKOQEGODSA-N |
| Mol Weight | 589.7 g/mol |
| Molecular Formula | C33H43N5O5 |
| Exact Mass | 589.326419 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | F6bQ2G3uin0 |
|---|---|
| Name | O-12'-METHYL-ALPHA-ERGOKRYPTINE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C33H43N5O5 |
| InChI | InChI=1S/C33H43N5O5/c1-18(2)13-26-30(40)37-12-8-11-27(37)33(42-6)38(26)31(41)32(43-33,19(3)4)35-29(39)21-14-23-22-9-7-10-24-28(22)20(16-34-24)15-25(23)36(5)17-21/h7,9-10,14,16,18-19,21,25-27,34H,8,11-13,15,17H2,1-6H3,(H,35,39)/t21-,25?,26+,27+,32-,33+/m1/s1 |
| InChIKey | IBKONBFVCDMGDA-LKOQEGODSA-N |
| Literature Reference Author | N.CRESPI-PERELLINO,M.BALLABIO,B.GIOIA,A.MINGHETTI |
| Literature Reference Citation | J.NAT.PROD.,50,1065(1987) |
| Literature Reference DOI | 10.1021/np50054a009 |
| Molecular Weight | 589.735 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCS3535 |