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21-Hydroxyprogesterone, trifluoroacetate

View entire compound with spectra: 1 NMR

21-Hydroxyprogesterone, trifluoroacetate
SpectraBase Compound ID Cbn7qKrHMyB
InChI InChI=1S/C23H29F3O4/c1-21-9-7-14(27)11-13(21)3-4-15-16-5-6-18(22(16,2)10-8-17(15)21)19(28)12-30-20(29)23(24,25)26/h11,15-18H,3-10,12H2,1-2H3
InChIKey ZVNUXRGOHDKNGE-UHFFFAOYSA-N
Mol Weight 426.48 g/mol
Molecular Formula C23H29F3O4
Exact Mass 426.201794 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KRlBlP5YW2n
Name 21-Hydroxyprogesterone, trifluoroacetate
Comments Computed using HOSE algorithm
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Exact Mass 426.201793899 u
Formula C23H29F3O4
InChI InChI=1S/C23H29F3O4/c1-21-9-7-14(27)11-13(21)3-4-15-16-5-6-18(22(16,2)10-8-17(15)21)19(28)12-30-20(29)23(24,25)26/h11,15-18H,3-10,12H2,1-2H3
InChIKey ZVNUXRGOHDKNGE-UHFFFAOYSA-N
Molecular Weight 426.476 g/mol
SMILES C12(C(C3C(C4(C(=CC(CC4)=O)CC3)C)CC1)CCC2C(=O)COC(C(F)(F)F)=O)C