| SpectraBase Compound ID | Jnj8dH4obMw |
|---|---|
| InChI | InChI=1S/C28H47F3O/c1-18(2)7-6-8-19(3)22-11-12-23-21-10-9-20-17-27(32,28(29,30)31)16-15-25(20,4)24(21)13-14-26(22,23)5/h18-24,32H,6-17H2,1-5H3/t19-,20?,21+,22-,23+,24+,25+,26-,27?/m1/s1 |
| InChIKey | MMDZLOYYVBYGCO-CBJYWHLFSA-N |
| Mol Weight | 456.7 g/mol |
| Molecular Formula | C28H47F3O |
| Exact Mass | 456.357901 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | fRQcSn4hiC |
|---|---|
| Name | 3-Hydroxy-3-trifluoromethyl-cholestane |
| Alternate Name(s) | 3-(trifluoromethyl)cholestan-3-ol |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C28H47F3O |
| InChI | InChI=1S/C28H47F3O/c1-18(2)7-6-8-19(3)22-11-12-23-21-10-9-20-17-27(32,28(29,30)31)16-15-25(20,4)24(21)13-14-26(22,23)5/h18-24,32H,6-17H2,1-5H3/t19-,20?,21+,22-,23+,24+,25+,26-,27?/m1/s1 |
| InChIKey | MMDZLOYYVBYGCO-CBJYWHLFSA-N |
| Molecular Weight | 456.678 g/mol |
| SMILES | OC1(C(F)(F)F)CC[C@@]2([C@]3(CC[C@]4([C@]([C@@]3(CCC2C1)[H])(CC[C@@]4([C@@](CCCC(C)C)(C)[H])[H])[H])C)[H])C |
| SPLASH | splash10-0udi-0009000000-1303384e60216c1e187d |
| Source of Spectrum | C-111-394-0 |
| Wiley ID | 1389413 |