| SpectraBase Compound ID | 42l4vgz2QiE |
|---|---|
| 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-/m0/s1 |
| InChIKey | KWVISVAMQJWJSZ-MBQSRJDJSA-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 | 2UaMy8vuSrt |
|---|---|
| Name | TOMATIDENOL-(25S)-3-BETA-HYDROXY-22-BETA-N-SPIROSOL-5-ENE |
| Compound Number | 1B |
| 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-/m0/s1 |
| InChIKey | KWVISVAMQJWJSZ-MBQSRJDJSA-N |
| Literature Reference Author | A.W.WANYONYI,S.C.CHHABRA,G.MKOJI,U.EILERT,W.M.NJUE |
| Literature Reference Citation | PHYTOCHEM.,59,79(2002) |
| Literature Reference DOI | 10.1016/S0031-9422(01)00424-1 |
| Molecular Weight | 413.644 g/mol |
| Solvent | CD3OD:CDCl3=1:1 |
| Source File Reference | UWVN2495 |