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5.alpha.-Androstane-3.alpha.,17.beta.-diol, bis(trifluoroacetate)

View entire compound with spectra: 1 NMR

5.alpha.-Androstane-3.alpha.,17.beta.-diol, bis(trifluoroacetate)
SpectraBase Compound ID 9vHxgHN8liV
InChI InChI=1S/C23H30F6O4/c1-20-9-7-13(32-18(30)22(24,25)26)11-12(20)3-4-14-15-5-6-17(33-19(31)23(27,28)29)21(15,2)10-8-16(14)20/h12-17H,3-11H2,1-2H3
InChIKey NXQFDYRIAIABNB-UHFFFAOYSA-N
Mol Weight 484.48 g/mol
Molecular Formula C23H30F6O4
Exact Mass 484.204828 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 60rSgi1uqmT
Name 5.alpha.-Androstane-3.alpha.,17.beta.-diol, bis(trifluoroacetate)
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 484.204828420 u
Formula C23H30F6O4
InChI InChI=1S/C23H30F6O4/c1-20-9-7-13(32-18(30)22(24,25)26)11-12(20)3-4-14-15-5-6-17(33-19(31)23(27,28)29)21(15,2)10-8-16(14)20/h12-17H,3-11H2,1-2H3
InChIKey NXQFDYRIAIABNB-UHFFFAOYSA-N
Molecular Weight 484.479 g/mol
SMILES C12C3(C(CC(CC3)OC(C(F)(F)F)=O)CCC1C1CCC(C1(CC2)C)OC(C(F)(F)F)=O)C