![21-[5-(2-PYRROLYL)-2(2H)-PYRROLIDENE]-21-(2-PYRROLYL)-4-PREGNENE-3,11,20-TRIONE](/api/spectrum/DC38ZGYzwQX/structure.png?h=300&w=458 "21-[5-(2-PYRROLYL)-2(2H)-PYRROLIDENE]-21-(2-PYRROLYL)-4-PREGNENE-3,11,20-TRIONE")
| SpectraBase Compound ID | 1yiMSDNi0uL |
|---|---|
| InChI | InChI=1S/C33H35N3O4/c1-31-13-11-20(37)17-19(31)7-8-21-22-12-14-33(40,32(22,2)18-27(38)29(21)31)30(39)28(25-6-4-16-35-25)26-10-9-24(36-26)23-5-3-15-34-23/h3-6,9-10,15-17,21-22,29,34-35,40H,7-8,11-14,18H2,1-2H3/b28-26+/t21-,22-,29+,31-,32-,33?/m0/s1 |
| InChIKey | XPEXUHFMEAAHBL-BFSYFVSDSA-N |
| Mol Weight | 537.7 g/mol |
| Molecular Formula | C33H35N3O4 |
| Exact Mass | 537.262757 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | DC38ZGYzwQX |
|---|---|
| Name | 21-[5-(2-PYRROLYL)-2(2H)-PYRROLIDENE]-21-(2-PYRROLYL)-4-PREGNENE-3,11,20-TRIONE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C33H35N3O4 |
| InChI | InChI=1S/C33H35N3O4/c1-31-13-11-20(37)17-19(31)7-8-21-22-12-14-33(40,32(22,2)18-27(38)29(21)31)30(39)28(25-6-4-16-35-25)26-10-9-24(36-26)23-5-3-15-34-23/h3-6,9-10,15-17,21-22,29,34-35,40H,7-8,11-14,18H2,1-2H3/b28-26+/t21-,22-,29+,31-,32-,33?/m0/s1 |
| InChIKey | XPEXUHFMEAAHBL-BFSYFVSDSA-N |
| Literature Reference Author | H.TOKUNAGA,M.TANNO,T.KIMURA |
| Literature Reference Citation | CHEM.PHARM.BULL.,35,1118(1987) |
| Literature Reference DOI | 10.1248/cpb.35.1118 |
| Molecular Weight | 537.659 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWBK1149 |