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

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5.alpha.-Androstane-3.alpha.,17.beta.-diol, bis(pentafluoropropionate)
SpectraBase Compound ID I84KcOAVMHa
InChI InChI=1S/C25H30F10O4/c1-20-9-7-13(38-18(36)22(26,27)24(30,31)32)11-12(20)3-4-14-15-5-6-17(21(15,2)10-8-16(14)20)39-19(37)23(28,29)25(33,34)35/h12-17H,3-11H2,1-2H3
InChIKey VGVRMALUWHWDMN-UHFFFAOYSA-N
Mol Weight 584.5 g/mol
Molecular Formula C25H30F10O4
Exact Mass 584.198441 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HHxJmoH7Uwl
Name 5.alpha.-Androstane-3.alpha.,17.beta.-diol, bis(pentafluoropropionate)
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 584.198441072 u
Formula C25H30F10O4
InChI InChI=1S/C25H30F10O4/c1-20-9-7-13(38-18(36)22(26,27)24(30,31)32)11-12(20)3-4-14-15-5-6-17(21(15,2)10-8-16(14)20)39-19(37)23(28,29)25(33,34)35/h12-17H,3-11H2,1-2H3
InChIKey VGVRMALUWHWDMN-UHFFFAOYSA-N
Molecular Weight 584.495 g/mol
SMILES C12C3(C(CC(CC3)OC(C(C(F)(F)F)(F)F)=O)CCC1C1CCC(C1(CC2)C)OC(C(C(F)(F)F)(F)F)=O)C