| SpectraBase Compound ID | EoXNArrq57q |
|---|---|
| InChI | InChI=1S/C25H34F6O4/c1-13(34-20(32)24(26,27)28)17-6-7-18-16-5-4-14-12-15(35-21(33)25(29,30)31)8-10-22(14,2)19(16)9-11-23(17,18)3/h13-19H,4-12H2,1-3H3 |
| InChIKey | ZYWWYWQPOLCWDY-UHFFFAOYSA-N |
| Mol Weight | 512.5 g/mol |
| Molecular Formula | C25H34F6O4 |
| Exact Mass | 512.236129 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | CGV7ofvFsiO |
|---|---|
| Name | Pregnane-3,20-diol, bis(trifluoroacetate), (3.beta.,5.alpha.)- |
| Alternate Name(s) | 20-[(2,2,2-Trifluoroacetyl)oxy]pregnan-3-yl trifluoroacetate Pregnane-3,20-diol, di-TFA Pregnane-3,20-diol,bis(itrifluoroacetate(ester)) 2,2,2-trifluoroacetic acid [10,13-dimethyl-17-[1-(2,2,2-trifluoro-1-oxoethoxy)ethyl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester [10,13-dimethyl-17-[1-(2,2,2-trifluoroacetyl)oxyethyl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2,2,2-trifluoroacetate [10,13-dimethyl-17-[1-[2,2,2-tris(fluoranyl)ethanoyloxy]ethyl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2,2,2-tris(fluoranyl)ethanoate |
| CAS Registry Number | 56614-55-2 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C25H34F6O4 |
| InChI | InChI=1S/C25H34F6O4/c1-13(34-20(32)24(26,27)28)17-6-7-18-16-5-4-14-12-15(35-21(33)25(29,30)31)8-10-22(14,2)19(16)9-11-23(17,18)3/h13-19H,4-12H2,1-3H3 |
| InChIKey | ZYWWYWQPOLCWDY-UHFFFAOYSA-N |
| Molecular Weight | 512.533 g/mol |
| SMILES | C1(CCC2(C(C1)CCC1C2CCC2(C1CCC2C(C)OC(=O)C(F)(F)F)C)C)OC(=O)C(F)(F)F |
| SPLASH | splash10-054p-9733000000-a48b9d6cd155998b05b4 |
| Source of Spectrum | SD-1981-0-0 |
| Wiley ID | 1400773 |