| SpectraBase Compound ID | F1eoWWeJAx2 |
|---|---|
| InChI | InChI=1S/C27H44ClNO2/c1-16-5-8-23(29(28)15-16)17(2)25-24(31)14-22-20-7-6-18-13-19(30)9-11-26(18,3)21(20)10-12-27(22,25)4/h6,16-17,19-25,30-31H,5,7-15H2,1-4H3/t16-,17-,19+,20-,21+,22+,23+,24+,25+,26+,27+/m1/s1 |
| InChIKey | MTCXONZFBQCPLG-XPMUQOCRSA-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 | IXyrInBPI7b |
|---|---|
| Name | N-CHLORODIHYDROSOLASODINE-A=(22S,25R)-22,26-CHLOROEPIMINOCHOLEST-5-ENE-3-BETA,16-BETA-DIOL |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H44ClNO2 |
| InChI | InChI=1S/C27H44ClNO2/c1-16-5-8-23(29(28)15-16)17(2)25-24(31)14-22-20-7-6-18-13-19(30)9-11-26(18,3)21(20)10-12-27(22,25)4/h6,16-17,19-25,30-31H,5,7-15H2,1-4H3/t16-,17-,19+,20-,21+,22+,23+,24+,25+,26+,27+/m1/s1 |
| InChIKey | MTCXONZFBQCPLG-XPMUQOCRSA-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 | UNIW17288 |