| SpectraBase Compound ID | E6jhNHMJ675 |
|---|---|
| InChI | InChI=1S/C27H41NO2/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/h13,16-17,20-24,28H,5-12,14-15H2,1-4H3/t16-,17-,20+,21-,22-,23-,24-,25-,26-,27-/m0/s1 |
| InChIKey | XCAKPWXDUSEAEH-HMLYJFOKSA-N |
| Mol Weight | 411.6 g/mol |
| Molecular Formula | C27H41NO2 |
| Exact Mass | 411.31373 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GlIVn1TxhrH |
|---|---|
| Name | (25S)-22-BETA-N-SPIROSOL-4-EN-3-ONE |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H41NO2 |
| InChI | InChI=1S/C27H41NO2/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/h13,16-17,20-24,28H,5-12,14-15H2,1-4H3/t16-,17-,20+,21-,22-,23-,24-,25-,26-,27-/m0/s1 |
| InChIKey | XCAKPWXDUSEAEH-HMLYJFOKSA-N |
| Literature Reference Author | M.C.M.TORRES,J.G.L.ALMEIDA,R.BRAZ-FILHO,E.R.SILVEIRA,O.D.L.P ESSOA |
| Literature Reference Citation | MAGN.RES.CHEM.,50,74(2012) |
| Literature Reference DOI | 10.1002/mrc.3793 |
| Molecular Weight | 411.628 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWBT16023 |