| SpectraBase Compound ID | 47coaXfWuLf |
|---|---|
| InChI | InChI=1S/C27H43NO2.C8H8O3/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4;1-5-3-2-4-6(9)7(5)8(10)11/h5,16-17,19-24,28-29H,6-15H2,1-4H3;2-4,9H,1H3,(H,10,11)/t16-,17+,19+,20-,21+,22+,23+,24+,25+,26+,27-;/m1./s1 |
| InChIKey | NALIUCAXTQGDBQ-XBODYBRHSA-N |
| Mol Weight | 565.8 g/mol |
| Molecular Formula | C35H51NO5 |
| Exact Mass | 565.376724 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Bwtdf3hpVJa |
|---|---|
| Name | 6-METHYL-SALICYLIC-ACID-SALT-SOLASOD-5-EN-3-BETA-OL |
| Compound Number | 19 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C35H51NO5 |
| InChI | InChI=1S/C27H43NO2.C8H8O3/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4;1-5-3-2-4-6(9)7(5)8(10)11/h5,16-17,19-24,28-29H,6-15H2,1-4H3;2-4,9H,1H3,(H,10,11)/t16-,17+,19+,20-,21+,22+,23+,24+,25+,26+,27-;/m1./s1 |
| InChIKey | NALIUCAXTQGDBQ-XBODYBRHSA-N |
| Literature Reference Author | A.V.PATEL,G.BLUNDEN,T.A.CRABB |
| Literature Reference Citation | PHYTOCHEM.,35,125(1994) |
| Literature Reference DOI | 10.1016/s0031-9422(00)90520-x |
| Molecular Weight | 565.794 g/mol |
| Solvent | CDCl3:DMSO=3:7 |
| Source File Reference | UWLU24102 |