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Stigmastanol, pentafluoropropionate

View entire compound with spectra: 1 NMR

Stigmastanol, pentafluoropropionate
SpectraBase Compound ID vsrbOve305
InChI InChI=1S/C32H51F5O2/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(39-28(38)31(33,34)32(35,36)37)14-16-29(22,5)27(24)15-17-30(25,26)6/h19-27H,7-18H2,1-6H3
InChIKey DSZLEQOIFPKYAL-UHFFFAOYSA-N
Mol Weight 562.8 g/mol
Molecular Formula C32H51F5O2
Exact Mass 562.380922 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JbeAbgJH8Ez
Name Stigmastanol, pentafluoropropionate
Comments Computed using HOSE algorithm
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Exact Mass 562.380921695 u
Formula C32H51F5O2
InChI InChI=1S/C32H51F5O2/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(39-28(38)31(33,34)32(35,36)37)14-16-29(22,5)27(24)15-17-30(25,26)6/h19-27H,7-18H2,1-6H3
InChIKey DSZLEQOIFPKYAL-UHFFFAOYSA-N
Molecular Weight 562.750 g/mol
SMILES C1C(CC2C(C1)(C1C(C3C(CC1)(C(CC3)C(C)CCC(C(C)C)CC)C)CC2)C)OC(C(C(F)(F)F)(F)F)=O