| SpectraBase Compound ID | C4A0N3gEm4f |
|---|---|
| InChI | InChI=1S/C26H42F2O4/c1-14(2)26(27,28)23(31)15(3)18-6-7-19-17-13-22(30)32-21-12-16(29)8-10-25(21,5)20(17)9-11-24(18,19)4/h14-21,23,29,31H,6-13H2,1-5H3/t15-,16+,17-,18+,19-,20-,21-,23+,24+,25+/m0/s1 |
| InChIKey | KRQHQJMFGDELSC-BCRFMFDHSA-N |
| Mol Weight | 456.6 g/mol |
| Molecular Formula | C26H42F2O4 |
| Exact Mass | 456.305116 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DPPtQO7eCd1 |
|---|---|
| Name | (22R)-23,23-Difluoro-3-.alpha.,22-dihydroxy-24,24-dimethyl-6-oxa-7A-homo-5.alpha.-cholane-7-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 456.305116154 u |
| Formula | C26H42F2O4 |
| InChI | InChI=1S/C26H42F2O4/c1-14(2)26(27,28)23(31)15(3)18-6-7-19-17-13-22(30)32-21-12-16(29)8-10-25(21,5)20(17)9-11-24(18,19)4/h14-21,23,29,31H,6-13H2,1-5H3/t15-,16+,17-,18+,19-,20-,21-,23+,24+,25+/m0/s1 |
| InChIKey | KRQHQJMFGDELSC-BCRFMFDHSA-N |
| Molecular Weight | 456.615 g/mol |
| SMILES | [C@@]1(CC[C@]2([C@](C1)(OC(C[C@]1([C@@]3(CC[C@]([C@@]([C@](C(C(C)C)(F)F)(O)[H])(C)[H])([C@@]3(C)CC[C@]21[H])[H])[H])[H])=O)[H])C)(O)[H] |