![(3S,8S,9S,10R,13S,14S,17R)-3-fluoranyl-10,13-dimethyl-17-prop-1-en-2-yl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene](/api/spectrum/8ITfcZgnl8a/structure.png?h=300&w=458 "(3S,8S,9S,10R,13S,14S,17R)-3-fluoranyl-10,13-dimethyl-17-prop-1-en-2-yl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene")
| SpectraBase Compound ID | nIRjYbYlSo |
|---|---|
| InChI | InChI=1S/C22H33F/c1-14(2)18-7-8-19-17-6-5-15-13-16(23)9-11-21(15,3)20(17)10-12-22(18,19)4/h5,16-20H,1,6-13H2,2-4H3/t16-,17-,18+,19-,20-,21-,22+/m0/s1 |
| InChIKey | XOARZBSYNJESLY-BIBIXIOVSA-N |
| Mol Weight | 316.5 g/mol |
| Molecular Formula | C22H33F |
| Exact Mass | 316.256629 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 8ITfcZgnl8a |
|---|---|
| Name | (3S,8S,9S,10R,13S,14S,17R)-3-fluoranyl-10,13-dimethyl-17-prop-1-en-2-yl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C22H33F |
| InChI | InChI=1S/C22H33F/c1-14(2)18-7-8-19-17-6-5-15-13-16(23)9-11-21(15,3)20(17)10-12-22(18,19)4/h5,16-20H,1,6-13H2,2-4H3/t16-,17-,18+,19-,20-,21-,22+/m0/s1 |
| InChIKey | XOARZBSYNJESLY-BIBIXIOVSA-N |
| Molecular Weight | 316.504 g/mol |
| SMILES | [C@@]12([C@]([C@@]3(CC=C4[C@@]([C@]3(CC2)[H])(CC[C@](F)(C4)[H])C)[H])(CC[C@@]1(C(=C)C)[H])[H])C |
| SPLASH | splash10-014i-0209000000-98a1e7c620b1bf007ef4 |
| Source of Spectrum | SK-32-2132-9 |
| Synonyms | (3S,8S,9S,10R,13S,14S,17R)-3-fluoro-10,13-dimethyl-17-(1-methylethenyl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene (3S,8S,9S,10R,13S,14S,17R)-3-fluoro-10,13-dimethyl-17-prop-1-en-2-yl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene (3S,8S,9S,10R,13S,14S,17R)-3-fluoro-17-isopropenyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene |
| Wiley ID | 1548792 |