| SpectraBase Compound ID | EaB89Wsnmbw |
|---|---|
| InChI | InChI=1S/C27H43NO2/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/h16-18,20-24,28H,5-15H2,1-4H3/t16-,17-,18-,20-,21-,22-,23-,24-,25-,26-,27-/m0/s1 |
| InChIKey | VCYNHQOAZQMPOJ-BLJPZWIDSA-N |
| Mol Weight | 413.6 g/mol |
| Molecular Formula | C27H43NO2 |
| Exact Mass | 413.32938 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LYKPuhwDWoa |
|---|---|
| Name | 5-ALPHA-TOMATIDAN-3-ONE;(25S)-5-ALPHA,22-BETA-N-SPIROSOLAN-3-ONE |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H43NO2 |
| InChI | InChI=1S/C27H43NO2/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/h16-18,20-24,28H,5-15H2,1-4H3/t16-,17-,18-,20-,21-,22-,23-,24-,25-,26-,27-/m0/s1 |
| InChIKey | VCYNHQOAZQMPOJ-BLJPZWIDSA-N |
| Literature Reference Author | T.NAGAOKA,T.YOSHIHARA,J.OHRA,S.SAKAMURA |
| Literature Reference Citation | PHYTOCHEM.,34,1153(1993) |
| Literature Reference DOI | 10.1016/S0031-9422(00)90734-9 |
| Molecular Weight | 413.644 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWVN6943 |