![(2Z,5S,8R,9S,10S,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-2-(1,2,2,3,3,4,4,4-octafluorobutylidene)-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one](/api/spectrum/KBDjwHgZVpI/structure.png?h=300&w=458 "(2Z,5S,8R,9S,10S,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-2-(1,2,2,3,3,4,4,4-octafluorobutylidene)-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one")
| SpectraBase Compound ID | FphuXZ8NwQP |
|---|---|
| InChI | InChI=1S/C31H44F8O/c1-17(2)7-6-8-18(3)22-11-12-23-20-10-9-19-15-25(40)21(16-28(19,5)24(20)13-14-27(22,23)4)26(32)29(33,34)30(35,36)31(37,38)39/h17-20,22-24H,6-16H2,1-5H3/b26-21-/t18-,19+,20+,22-,23+,24+,27-,28+/m1/s1 |
| InChIKey | NGGDQJVODYMVEA-QIYDFDGISA-N |
| Mol Weight | 584.7 g/mol |
| Molecular Formula | C31H44F8O |
| Exact Mass | 584.326441 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | KBDjwHgZVpI |
|---|---|
| Name | (2Z,5S,8R,9S,10S,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-2-(1,2,2,3,3,4,4,4-octafluorobutylidene)-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one |
| Appearance | Slightly yellow oil |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C31H44F8O |
| InChI | InChI=1S/C31H44F8O/c1-17(2)7-6-8-18(3)22-11-12-23-20-10-9-19-15-25(40)21(16-28(19,5)24(20)13-14-27(22,23)4)26(32)29(33,34)30(35,36)31(37,38)39/h17-20,22-24H,6-16H2,1-5H3/b26-21-/t18-,19+,20+,22-,23+,24+,27-,28+/m1/s1 |
| InChIKey | NGGDQJVODYMVEA-QIYDFDGISA-N |
| Ionization Type | EI |
| Literature Reference DOI | 10.1002/ejoc.201901717 |
| Molecular Weight | 584.679 g/mol |
| SMILES | C1\C(C(C[C@]2([C@]1([C@@]1([C@@](CC2)([C@]2([C@](CC1)([C@](CC2)([C@](C)(CCCC(C)C)[H])[H])C)[H])[H])[H])C)[H])=O)=C/(F)C(C(C(F)(F)F)(F)F)(F)F |
| SPLASH | splash10-0lk9-3213900000-4900f880d90ca36a1c82 |
| Source of Spectrum | U1-2020-77-4p |
| Wiley ID | 1858742 |