| SpectraBase Compound ID | EWIdud0Ev9K |
|---|---|
| InChI | InChI=1S/C34H52F2O3S/c1-23(2)10-9-11-24(3)28-16-17-29-27-15-14-25-22-33(37,21-20-31(25,4)30(27)18-19-32(28,29)5)34(35,36)40(38,39)26-12-7-6-8-13-26/h6-8,12-13,23-25,27-30,37H,9-11,14-22H2,1-5H3/t24-,25+,27+,28-,29+,30+,31+,32-,33+/m1/s1 |
| InChIKey | NUMXQQGQOLDWNG-LZQYUXOOSA-N |
| Mol Weight | 578.8 g/mol |
| Molecular Formula | C34H52F2O3S |
| Exact Mass | 578.360523 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JaY8y9Nyq2h |
|---|---|
| Name | 3-(BENZENESULFONYL)-DIFLUOROMETHYL-5-ALPHA-CHOLESTAN-3-OL |
| Compound Number | 3M |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C34H52F2O3S |
| InChI | InChI=1S/C34H52F2O3S/c1-23(2)10-9-11-24(3)28-16-17-29-27-15-14-25-22-33(37,21-20-31(25,4)30(27)18-19-32(28,29)5)34(35,36)40(38,39)26-12-7-6-8-13-26/h6-8,12-13,23-25,27-30,37H,9-11,14-22H2,1-5H3/t24-,25+,27+,28-,29+,30+,31+,32-,33+/m1/s1 |
| InChIKey | NUMXQQGQOLDWNG-LZQYUXOOSA-N |
| Literature Reference Author | G.K.S.PRAKASH,J.HU,Y.WANG,G.A.OLAH |
| Literature Reference Citation | EUR.J.ORG.CHEM.,2218(2005) |
| Molecular Weight | 578.842 g/mol |
| Sample ID | 39275 |
| Solvent | CDCl3 |