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

View entire compound with spectra: 1 NMR

5.alpha.-Androstane-3.beta.,17.beta.-diol, bis(chlorodifluoroacetate)
SpectraBase Compound ID 6K0vbWAyVPg
InChI InChI=1S/C23H30Cl2F4O4/c1-20-9-7-13(32-18(30)22(24,26)27)11-12(20)3-4-14-15-5-6-17(33-19(31)23(25,28)29)21(15,2)10-8-16(14)20/h12-17H,3-11H2,1-2H3
InChIKey VLTGHFUWITVVGE-UHFFFAOYSA-N
Mol Weight 517.39 g/mol
Molecular Formula C23H30Cl2F4O4
Exact Mass 516.145727 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FKFMr2TvKsc
Name 5.alpha.-Androstane-3.beta.,17.beta.-diol, bis(chlorodifluoroacetate)
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 516.145727494 u
Formula C23H30Cl2F4O4
InChI InChI=1S/C23H30Cl2F4O4/c1-20-9-7-13(32-18(30)22(24,26)27)11-12(20)3-4-14-15-5-6-17(33-19(31)23(25,28)29)21(15,2)10-8-16(14)20/h12-17H,3-11H2,1-2H3
InChIKey VLTGHFUWITVVGE-UHFFFAOYSA-N
Molecular Weight 517.389 g/mol
SMILES C12C3(C(CC(CC3)OC(C(F)(F)Cl)=O)CCC1C1CCC(C1(CC2)C)OC(C(F)(F)Cl)=O)C