| SpectraBase Spectrum ID |
BGzkfdC8SlJ |
| Name |
(8R,9S,13S,14S)-13-methyl-3-(3,3,3-trifluoropropyl)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one |
| Appearance |
Pale yellow liquid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H25F3O |
| InChI |
InChI=1S/C21H25F3O/c1-20-10-9-16-15-4-2-13(8-11-21(22,23)24)12-14(15)3-5-17(16)18(20)6-7-19(20)25/h2,4,12,16-18H,3,5-11H2,1H3/t16-,17-,18+,20+/m1/s1 |
| InChIKey |
PMYYZKODPPTOTQ-XSYGEPLQSA-N |
| Ionization Type |
EI positive ion |
| Literature Reference DOI |
10.1002/adsc.202100828 |
| Molecular Weight |
350.425 g/mol |
| Reported Formula |
C21H25OF3 |
| SMILES |
[C@]12([C@]3([C@](CC[C@@]2(C(CC1)=O)C)(c1c(CC3)cc(cc1)CCC(F)(F)F)[H])[H])[H] |
| SPLASH |
splash10-0udl-0693000000-9ffbc8bffabd5e2db626 |
| Source of Spectrum |
ASC-364-SM93-3nc |
| Wiley ID |
1875177 |
![(8R,9S,13S,14S)-13-methyl-3-(3,3,3-trifluoropropyl)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one](/api/spectrum/BGzkfdC8SlJ/structure.png?h=300&w=458 "(8R,9S,13S,14S)-13-methyl-3-(3,3,3-trifluoropropyl)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one")
