| SpectraBase Compound ID | 20vPaL1kLO4 |
|---|---|
| InChI | InChI=1S/C28H48O7/c1-14(19(30)13-26(5,33)24(2,3)32)16-7-8-17-21-18(9-10-25(16,17)4)27(6)20(31)11-15(29)12-28(27,34)23-22(21)35-23/h14-23,29-34H,7-13H2,1-6H3/t14-,15-,16?,17?,18?,19-,20-,21?,22-,23-,25+,26?,27-,28-/m0/s1 |
| InChIKey | PFJNNGWQNCMSMO-BVJDUPMQSA-N |
| Mol Weight | 496.7 g/mol |
| Molecular Formula | C28H48O7 |
| Exact Mass | 496.340004 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LN0pKkoPVgd |
|---|---|
| Name | PETUNIOSTEROL-B |
| Compound Number | 2A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C28H48O7 |
| InChI | InChI=1S/C28H48O7/c1-14(19(30)13-26(5,33)24(2,3)32)16-7-8-17-21-18(9-10-25(16,17)4)27(6)20(31)11-15(29)12-28(27,34)23-22(21)35-23/h14-23,29-34H,7-13H2,1-6H3/t14-,15-,16?,17?,18?,19-,20-,21?,22-,23-,25+,26?,27-,28-/m0/s1 |
| InChIKey | PFJNNGWQNCMSMO-BVJDUPMQSA-N |
| Literature Reference Author | K.SHINGU,H.FUJII,K.MIZUKI,I.UEDA,S.YAHARA,T.NOHARA |
| Literature Reference Citation | PHYTOCHEM.,36,1307(1994) |
| Literature Reference DOI | 10.1016/S0031-9422(00)89657-0 |
| Molecular Weight | 496.685 g/mol |
| Solvent | CD3OD:CDCl3 |
| Source File Reference | UWLU26320 |