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5.alpha.-Androstan-3.beta.-ol, o-pentafluoropropionyl-

View entire compound with spectra: 1 NMR

5.alpha.-Androstan-3.beta.-ol, o-pentafluoropropionyl-
SpectraBase Compound ID 14060wJQTYl
InChI InChI=1S/C22H31F5O2/c1-19-9-3-4-16(19)15-6-5-13-12-14(7-11-20(13,2)17(15)8-10-19)29-18(28)21(23,24)22(25,26)27/h13-17H,3-12H2,1-2H3
InChIKey XVXMCKFSGMKFRJ-UHFFFAOYSA-N
Mol Weight 422.48 g/mol
Molecular Formula C22H31F5O2
Exact Mass 422.224421 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2mc9GhIoxvP
Name 5.alpha.-Androstan-3.beta.-ol, o-pentafluoropropionyl-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 422.224421051 u
Formula C22H31F5O2
InChI InChI=1S/C22H31F5O2/c1-19-9-3-4-16(19)15-6-5-13-12-14(7-11-20(13,2)17(15)8-10-19)29-18(28)21(23,24)22(25,26)27/h13-17H,3-12H2,1-2H3
InChIKey XVXMCKFSGMKFRJ-UHFFFAOYSA-N
Molecular Weight 422.480 g/mol
SMILES C1C(CC2C(C1)(C1C(CC2)C2C(CCC2)(C)CC1)C)OC(C(C(F)(F)F)(F)F)=O