| SpectraBase Compound ID | 3DyE20K2i2D |
|---|---|
| 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/h5,16-17,19-24,28-29H,6-15H2,1-4H3/t16-,17+,19+,20-,21+,22+,23+,24+,25+,26+,27-/m1/s1 |
| InChIKey | KWVISVAMQJWJSZ-VKROHFNGSA-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 | LS6pNW1LUeN |
|---|---|
| Name | SOLASODINE;(25R)-3-BETA-HYDROXY-22-ALPHA-N-SPIROSOL-5-ENE |
| 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/h5,16-17,19-24,28-29H,6-15H2,1-4H3/t16-,17+,19+,20-,21+,22+,23+,24+,25+,26+,27-/m1/s1 |
| InChIKey | KWVISVAMQJWJSZ-VKROHFNGSA-N |
| Literature Reference Author | H.RIPPERGER,A.PORZEL |
| Literature Reference Citation | PHYTOCHEM.,31,1837(1992) |
| Literature Reference DOI | 10.1016/0031-9422(92)83164-T |
| Molecular Weight | 413.644 g/mol |
| Solvent | CDCl3:CD3COOD |
| Source File Reference | UWVN6061 |