| SpectraBase Compound ID | 58Up1J6umqW |
|---|---|
| InChI | InChI=1S/C36H47NO6/c1-21(30(19-36(7)33(3,4)43-36)42-32(40)23-9-8-16-37-20-23)26-10-11-27-31-28(13-15-35(26,27)6)34(5)14-12-25(39)17-24(34)18-29(31)41-22(2)38/h8-9,12,14,16-17,20-21,26-31H,10-11,13,15,18-19H2,1-7H3/t21-,26+,27-,28-,29+,30+,31-,34-,35+,36+/m0/s1 |
| InChIKey | GZVZOUGSJKYDIN-VFMJYHEJSA-N |
| Mol Weight | 589.8 g/mol |
| Molecular Formula | C36H47NO6 |
| Exact Mass | 589.340338 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5jMobNGIvNQ |
|---|---|
| Name | PETUNIASTERONE-C-22-NICOTINATE-7-ACETATE;(22R,24S)-7-ALPHA-ACETOXY-24,25-EPOXY-22-NICOTINOYLOXY-ERGOSTA-1,4-DIEN-3-ONE |
| Compound Number | 15 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H47NO6 |
| InChI | InChI=1S/C36H47NO6/c1-21(30(19-36(7)33(3,4)43-36)42-32(40)23-9-8-16-37-20-23)26-10-11-27-31-28(13-15-35(26,27)6)34(5)14-12-25(39)17-24(34)18-29(31)41-22(2)38/h8-9,12,14,16-17,20-21,26-31H,10-11,13,15,18-19H2,1-7H3/t21-,26+,27-,28-,29+,30+,31-,34-,35+,36+/m0/s1 |
| InChIKey | GZVZOUGSJKYDIN-VFMJYHEJSA-N |
| Literature Reference Author | C.A.ELLIGER,A.C.WAISS,M.BENSON,R.Y.WONG |
| Literature Reference Citation | PHYTOCHEM.,33,471(1993) |
| Literature Reference DOI | 10.1016/0031-9422(93)85542-Y |
| Molecular Weight | 589.772 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWVN6446 |