| SpectraBase Compound ID | FERQFBYr4xS |
|---|---|
| InChI | InChI=1S/C27H45NO3/c1-16(2)7-6-8-17(3)19-9-10-20-18-13-23(28-31)22-14-24(29)25(30)15-27(22,5)21(18)11-12-26(19,20)4/h14,16-21,24-25,29-31H,6-13,15H2,1-5H3/b28-23+/t17-,18+,19-,20+,21+,24+,25-,26?,27?/m1/s1 |
| InChIKey | RXVIHDNLTKWAIL-HMRKCGAESA-N |
| Mol Weight | 431.7 g/mol |
| Molecular Formula | C27H45NO3 |
| Exact Mass | 431.339944 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LonECxi5GqR |
|---|---|
| Name | 2-ALPHA,3-ALPHA-DIHYDROXY-6-(E)-HYDROXIMINO-CHOLEST-4-ENE |
| Compound Number | 20B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H44NO3 |
| InChI | InChI=1S/C27H45NO3/c1-16(2)7-6-8-17(3)19-9-10-20-18-13-23(28-31)22-14-24(29)25(30)15-27(22,5)21(18)11-12-26(19,20)4/h14,16-21,24-25,29-31H,6-13,15H2,1-5H3/b28-23+/t17-,18+,19-,20+,21+,24+,25-,26?,27?/m1/s1 |
| InChIKey | RXVIHDNLTKWAIL-HMRKCGAESA-N |
| Literature Reference Author | N.DEIVE,J.RODRIGUEZ,C.JIMENEZ |
| Literature Reference Citation | J.MED.CHEM.,44,2612(2001) |
| Literature Reference DOI | 10.1021/jm010867n |
| Molecular Weight | 430.651 g/mol |
| Sample ID | 44677 |
| Solvent | CDCl3 |