| SpectraBase Compound ID | LvtfMSDP7Y2 |
|---|---|
| InChI | InChI=1S/C34H45NO5/c1-20(28(18-34(6)31(2,3)40-34)39-30(38)21-8-7-15-35-19-21)24-9-10-25-29-26(12-14-33(24,25)5)32(4)13-11-23(36)16-22(32)17-27(29)37/h7-8,11,13,15-16,19-20,24-29,37H,9-10,12,14,17-18H2,1-6H3/t20-,24+,25-,26-,27+,28+,29-,32-,33+,34+/m0/s1 |
| InChIKey | MDUKOTUMOLLGQF-DKVYCGFOSA-N |
| Mol Weight | 547.7 g/mol |
| Molecular Formula | C34H45NO5 |
| Exact Mass | 547.329774 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | L3g6NJwYjNN |
|---|---|
| Name | PETUNIASTERONE-C-22-NICOTINATE;(22R,24S)-24,25-EPOXY-7-ALPHA-HYDROXY-22-NICOTINOYLOXY-ERGOSTA-1,4-DIEN-3-ONE |
| Compound Number | 14 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C34H45NO5 |
| InChI | InChI=1S/C34H45NO5/c1-20(28(18-34(6)31(2,3)40-34)39-30(38)21-8-7-15-35-19-21)24-9-10-25-29-26(12-14-33(24,25)5)32(4)13-11-23(36)16-22(32)17-27(29)37/h7-8,11,13,15-16,19-20,24-29,37H,9-10,12,14,17-18H2,1-6H3/t20-,24+,25-,26-,27+,28+,29-,32-,33+,34+/m0/s1 |
| InChIKey | MDUKOTUMOLLGQF-DKVYCGFOSA-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 | 547.735 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWVN6445 |