| SpectraBase Compound ID | equUeb7vDQ |
|---|---|
| InChI | InChI=1S/C27H42O3/c1-16-7-12-27(29-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(28)8-10-25(18,3)21(20)9-11-26(22,24)4/h13,16-17,19-24,28H,5-12,14-15H2,1-4H3/t16-,17+,19+,20-,21+,22+,23+,24+,25+,26+,27-/m1/s1 |
| InChIKey | DWCSNWXARWMZTG-VKROHFNGSA-N |
| Mol Weight | 414.6 g/mol |
| Molecular Formula | C27H42O3 |
| Exact Mass | 414.313395 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2kFya860bdR |
|---|---|
| Name | TRIGONEGENIN-A;25S-SPIROST-4-EN-3-BETA-OL |
| Compound Number | 15 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H42O3 |
| InChI | InChI=1S/C27H42O3/c1-16-7-12-27(29-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(28)8-10-25(18,3)21(20)9-11-26(22,24)4/h13,16-17,19-24,28H,5-12,14-15H2,1-4H3/t16-,17+,19+,20-,21+,22+,23+,24+,25+,26+,27-/m1/s1 |
| InChIKey | DWCSNWXARWMZTG-VKROHFNGSA-N |
| Literature Reference Author | T.MURAKAMI,A.KISHI,H.MATSUDA,M.YOSHIKAWA |
| Literature Reference Citation | CHEM.PHARM.BULL.,48,994(2000) |
| Literature Reference DOI | 10.1248/cpb.48.994 |
| Molecular Weight | 414.629 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWVN4344 |