| SpectraBase Compound ID | LgnlyBY3NAr |
|---|---|
| InChI | InChI=1S/C40H48N2O6/c1-24(33(21-40(6)37(2,3)48-40)47-36(45)26-10-8-18-42-23-26)29-11-12-30-34-31(14-16-39(29,30)5)38(4)15-13-28(43)19-27(38)20-32(34)46-35(44)25-9-7-17-41-22-25/h7-10,13,15,17-19,22-24,29-34H,11-12,14,16,20-21H2,1-6H3/t24-,29+,30-,31-,32+,33+,34-,38-,39+,40+/m0/s1 |
| InChIKey | OBLJWSXLUWIEPP-HBCMHGAJSA-N |
| Mol Weight | 652.8 g/mol |
| Molecular Formula | C40H48N2O6 |
| Exact Mass | 652.351237 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5ZzcDaNQaCF |
|---|---|
| Name | PETUNIASTERONE-C-7,22-DINICOTINATE;(22R,24S)-7-ALPHA,22-DINICOTINOYLOXY-24,25-EPOXY-ERGOSTA-1,4-DIEN-3-ONE |
| Compound Number | 16 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C40H48N2O6 |
| InChI | InChI=1S/C40H48N2O6/c1-24(33(21-40(6)37(2,3)48-40)47-36(45)26-10-8-18-42-23-26)29-11-12-30-34-31(14-16-39(29,30)5)38(4)15-13-28(43)19-27(38)20-32(34)46-35(44)25-9-7-17-41-22-25/h7-10,13,15,17-19,22-24,29-34H,11-12,14,16,20-21H2,1-6H3/t24-,29+,30-,31-,32+,33+,34-,38-,39+,40+/m0/s1 |
| InChIKey | OBLJWSXLUWIEPP-HBCMHGAJSA-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 | 652.831 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWVN6447 |