| SpectraBase Compound ID | EYPY0pGMNo0 |
|---|---|
| InChI | InChI=1S/C36H49NO7/c1-20(29(18-35(6)33(3,4)44-35)43-32(41)22-9-8-14-37-19-22)25-10-11-26-31-27(12-13-34(25,26)5)36(7)23(16-28(31)40)15-24(39)17-30(36)42-21(2)38/h8-9,14-15,19-20,25-31,40H,10-13,16-18H2,1-7H3/t20-,25+,26-,27-,28+,29+,30-,31-,34+,35+,36-/m0/s1 |
| InChIKey | AFDRIUQNKOGLSG-CEFBADKKSA-N |
| Mol Weight | 607.8 g/mol |
| Molecular Formula | C36H49NO7 |
| Exact Mass | 607.350903 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | hNBDox6t7a |
|---|---|
| Name | PETUNIASTERONE-B-22-NICOTINATE;(22R,24S)-1-ALPHA-ACETOXY-24,25-EPOXY-7-ALPHA-HYDROXY-22-NICOTINOYLOXY-ERGOST-4-EN-3-ONE |
| Compound Number | 10 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H49NO7 |
| InChI | InChI=1S/C36H49NO7/c1-20(29(18-35(6)33(3,4)44-35)43-32(41)22-9-8-14-37-19-22)25-10-11-26-31-27(12-13-34(25,26)5)36(7)23(16-28(31)40)15-24(39)17-30(36)42-21(2)38/h8-9,14-15,19-20,25-31,40H,10-13,16-18H2,1-7H3/t20-,25+,26-,27-,28+,29+,30-,31-,34+,35+,36-/m0/s1 |
| InChIKey | AFDRIUQNKOGLSG-CEFBADKKSA-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 | 607.788 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWVN6443 |