![10,13-Dimethyl-17-[(2-trifluoromethyl-benzylidene)-hydrazono]-hexadecahydro-cyclopenta[a]phenanthren-3-ol](/api/spectrum/GslvtwJaR6W/structure.png?h=300&w=458 "10,13-Dimethyl-17-[(2-trifluoromethyl-benzylidene)-hydrazono]-hexadecahydro-cyclopenta[a]phenanthren-3-ol")
| SpectraBase Compound ID | EHwqdVKcRj |
|---|---|
| InChI | InChI=1S/C27H35F3N2O/c1-25-13-11-19(33)15-18(25)7-8-20-22-9-10-24(26(22,2)14-12-23(20)25)32-31-16-17-5-3-4-6-21(17)27(28,29)30/h3-6,16,18-20,22-23,33H,7-15H2,1-2H3/b31-16+,32-24+/t18-,19?,20?,22?,23?,25-,26-/m0/s1 |
| InChIKey | LLAAAEUGXUMKCN-RGZDAZHCSA-N |
| Mol Weight | 460.6 g/mol |
| Molecular Formula | C27H35F3N2O |
| Exact Mass | 460.270148 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GslvtwJaR6W |
|---|---|
| Name | 10,13-Dimethyl-17-[(2-trifluoromethyl-benzylidene)-hydrazono]-hexadecahydro-cyclopenta[A]phenanthren-3-ol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 460.270148243 u |
| Formula | C27H35F3N2O |
| InChI | InChI=1S/C27H35F3N2O/c1-25-13-11-19(33)15-18(25)7-8-20-22-9-10-24(26(22,2)14-12-23(20)25)32-31-16-17-5-3-4-6-21(17)27(28,29)30/h3-6,16,18-20,22-23,33H,7-15H2,1-2H3/b31-16+,32-24+/t18-,19?,20?,22?,23?,25-,26-/m0/s1 |
| InChIKey | LLAAAEUGXUMKCN-RGZDAZHCSA-N |
| Molecular Weight | 460.585 g/mol |
| SMILES | [C@]12(C3C(C4CC\C([C@]4(CC3)C)=N/N=C/C3=C(C(F)(F)F)C=CC=C3)CC[C@]1(CC(CC2)O)[H])C |