| SpectraBase Compound ID | Cn5m7RUHK96 |
|---|---|
| InChI | InChI=1S/C27H43NO/c1-17-6-9-25-18(2)24(16-28(25)15-17)26(4)13-11-23-22(19(26)3)8-7-20-14-21(29)10-12-27(20,23)5/h7,17-18,21-25,29H,3,6,8-16H2,1-2,4-5H3/t17-,18-,21+,22?,23?,24+,25+,26+,27+/m1/s1 |
| InChIKey | ZUNKRQUOHDTYCU-IDRYUWQZSA-N |
| Mol Weight | 397.6 g/mol |
| Molecular Formula | C27H43NO |
| Exact Mass | 397.334465 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Fb2fMt4r4nk |
|---|---|
| Name | 15,16-SECO-22-ALPHA-H-25-BETA-H-SOLANIDA-5,14-DIEN-3-BETA-OL |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H43NO |
| InChI | InChI=1S/C27H43NO/c1-17-6-9-25-18(2)24(16-28(25)15-17)26(4)13-11-23-22(19(26)3)8-7-20-14-21(29)10-12-27(20,23)5/h7,17-18,21-25,29H,3,6,8-16H2,1-2,4-5H3/t17-,18-,21+,22?,23?,24+,25+,26+,27+/m1/s1 |
| InChIKey | ZUNKRQUOHDTYCU-IDRYUWQZSA-N |
| Literature Reference Author | Z.Z.QIAN,T.NOHARA |
| Literature Reference Citation | PHYTOCHEM.,40,979(1995) |
| Literature Reference DOI | 10.1016/0031-9422(95)00323-Y |
| Molecular Weight | 397.645 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMS2269 |