| SpectraBase Compound ID | JAY9sZxuDo4 |
|---|---|
| InChI | InChI=1S/C23H30NO/c1-15(24-4)19-8-9-20-18-7-6-16-14-17(25-5)10-12-22(16,2)21(18)11-13-23(19,20)3/h4,6,8,14,18,20-21H,1,7,9-13H2,2-3,5H3/q+1/t18-,20-,21-,22-,23+/m0/s1 |
| InChIKey | JMUPNTLEMOVGGO-VPSDZCSPSA-N |
| Mol Weight | 336.5 g/mol |
| Molecular Formula | C23H30NO |
| Exact Mass | 336.23274 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Gfw3W6g4CIR |
|---|---|
| Name | 20-ISOCYANO-3-METHOXY-PREGNA-3,5,16,20-TETRAENE |
| Compound Number | 5A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C23H30NO |
| InChI | InChI=1S/C23H30NO/c1-15(24-4)19-8-9-20-18-7-6-16-14-17(25-5)10-12-22(16,2)21(18)11-13-23(19,20)3/h4,6,8,14,18,20-21H,1,7,9-13H2,2-3,5H3/q+1/t18-,20-,21-,22-,23+/m0/s1 |
| InChIKey | JMUPNTLEMOVGGO-VPSDZCSPSA-N |
| Literature Reference Author | J.STOELWINDER,A.M.VANLEUSEN |
| Literature Reference Citation | J.ORG.CHEM.,58,3687(1993) |
| Literature Reference DOI | 10.1021/jo00066a021 |
| Molecular Weight | 336.497 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCS20191 |