| SpectraBase Compound ID | AOs6e4pNovE |
|---|---|
| InChI | InChI=1S/C31H48O2/c1-8-23(20(2)3)10-9-21(4)27-13-14-28-26-12-11-24-19-25(33-22(5)32)15-17-30(24,6)29(26)16-18-31(27,28)7/h9-11,21,23,25-29H,2,8,12-19H2,1,3-7H3/b10-9+/t21-,23-,25+,26-,27-,28+,29+,30+,31?/m1/s1 |
| InChIKey | MOEVEIGHSLNJAI-RDVSFATKSA-N |
| Mol Weight | 452.7 g/mol |
| Molecular Formula | C31H48O2 |
| Exact Mass | 452.365431 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AUM8lLvfwZA |
|---|---|
| Name | (24S)-24-ETHYLCHOLESTA-5,22(E),25-TRIEN-3-BETA-YL-ACETATE |
| Compound Number | 1A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H48O2 |
| InChI | InChI=1S/C31H48O2/c1-8-23(20(2)3)10-9-21(4)27-13-14-28-26-12-11-24-19-25(33-22(5)32)15-17-30(24,6)29(26)16-18-31(27,28)7/h9-11,21,23,25-29H,2,8,12-19H2,1,3-7H3/b10-9+/t21-,23-,25+,26-,27-,28+,29+,30+,31?/m1/s1 |
| InChIKey | MOEVEIGHSLNJAI-RDVSFATKSA-N |
| Literature Reference Author | H.GASPAR,F.M.S.B.PALMA,M.C.D.L.TORRE,B.RODRIGUEZ |
| Literature Reference Citation | PHYTOCHEM.,43,613(1996) |
| Literature Reference DOI | 10.1016/0031-9422(96)00337-8 |
| Molecular Weight | 452.721 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMS2056 |