| SpectraBase Compound ID | 5xY7movwZGg |
|---|---|
| InChI | InChI=1S/C26H26F14O4/c1-20-9-8-14-13-5-3-12(43-18(41)21(27,28)23(31,32)25(35,36)37)10-11(13)2-4-15(14)16(20)6-7-17(20)44-19(42)22(29,30)24(33,34)26(38,39)40/h10,12-17H,2-9H2,1H3/t12-,13-,14+,15+,16-,17+,20-/m0/s1 |
| InChIKey | HLFMINJSAUHIOH-UJCHLWPXSA-N |
| Mol Weight | 668.47 g/mol |
| Molecular Formula | C26H26F14O4 |
| Exact Mass | 668.160754 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6jDKyFS17v3 |
|---|---|
| Name | 17.alpha./.beta.-19-Nortestosreone-bis(heptafluorobutanoyl) derivative |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 668.160753595 u |
| Formula | C26H26F14O4 |
| InChI | InChI=1S/C26H26F14O4/c1-20-9-8-14-13-5-3-12(43-18(41)21(27,28)23(31,32)25(35,36)37)10-11(13)2-4-15(14)16(20)6-7-17(20)44-19(42)22(29,30)24(33,34)26(38,39)40/h10,12-17H,2-9H2,1H3/t12-,13-,14+,15+,16-,17+,20-/m0/s1 |
| InChIKey | HLFMINJSAUHIOH-UJCHLWPXSA-N |
| Molecular Weight | 668.468 g/mol |
| SMILES | C(C(C(O[C@]1([C@@]2([C@@]([C@@]3(CCC=4[C@@]([C@]3(CC2)[H])(CC[C@](OC(C(C(C(F)(F)F)(F)F)(F)F)=O)(C4)[H])[H])[H])([H])CC1)C)[H])=O)(F)F)(C(F)(F)F)(F)F |