| SpectraBase Compound ID | 5lDGuXt3BUm |
|---|---|
| InChI | InChI=1S/C27H44ClNO2/c1-16-7-12-27(29(28)15-16)17(2)24-23(31-27)14-22-20-6-5-18-13-19(30)8-10-25(18,3)21(20)9-11-26(22,24)4/h16-24,30H,5-15H2,1-4H3/t16-,17-,18-,19-,20+,21-,22-,23-,24-,25-,26-,27-/m0/s1 |
| InChIKey | NWEUNOZWECVLAL-VXPJTDKGSA-N |
| Mol Weight | 450.1 g/mol |
| Molecular Formula | C27H44ClNO2 |
| Exact Mass | 449.306057 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2ntMpvNozNI |
|---|---|
| Name | N-CHLOROTOMATIDINE=(25R)-N-CHLORO-5-ALPHA,22-ALPHA-N-SPIROSOLAN-3-BETA-OL |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H44ClNO2 |
| InChI | InChI=1S/C27H44ClNO2/c1-16-7-12-27(29(28)15-16)17(2)24-23(31-27)14-22-20-6-5-18-13-19(30)8-10-25(18,3)21(20)9-11-26(22,24)4/h16-24,30H,5-15H2,1-4H3/t16-,17-,18-,19-,20+,21-,22-,23-,24-,25-,26-,27-/m0/s1 |
| InChIKey | NWEUNOZWECVLAL-VXPJTDKGSA-N |
| Literature Reference Author | G.J.BIRD,D.J.COLLINS,F.W.EASTWOOD,R.H.EXNER |
| Literature Reference Citation | AUSTR.J.CHEM.,32,797(1979) |
| Literature Reference DOI | 10.1071/ch9790797 |
| Molecular Weight | 450.105 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UNIW17305 |