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3.beta.-Cholesteryl [(4-fluorophenyl)telluro]formate
SpectraBase Compound ID EQESWmlq1p1
InChI InChI=1S/C34H50O2Te/c1-23(2)10-9-11-24(3)29-16-17-30-28-15-14-25-22-26(36-32(35)37-27-12-7-6-8-13-27)18-20-33(25,4)31(28)19-21-34(29,30)5/h6-8,12-14,23-24,26,28-31H,9-11,15-22H2,1-5H3/t24-,26+,28?,29-,30?,31?,33+,34-/m1/s1
InChIKey XEHAEOOEVKDRAL-RVHMWEAZSA-N
Mol Weight 618.4 g/mol
Molecular Formula C34H50O2Te
Exact Mass 620.287304 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JEo8dSCO7se
Name 3.beta.-Cholesteryl [(4-fluorophenyl)telluro]formate
Comments Computed using HOSE algorithm
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Exact Mass 620.287303598 u
Formula C34H50O2Te
InChI InChI=1S/C34H50O2Te/c1-23(2)10-9-11-24(3)29-16-17-30-28-15-14-25-22-26(36-32(35)37-27-12-7-6-8-13-27)18-20-33(25,4)31(28)19-21-34(29,30)5/h6-8,12-14,23-24,26,28-31H,9-11,15-22H2,1-5H3/t24-,26+,28?,29-,30?,31?,33+,34-/m1/s1
InChIKey XEHAEOOEVKDRAL-RVHMWEAZSA-N
Molecular Weight 618.375 g/mol
SMILES [C@@]12(C(C3CC=C4[C@@](C3CC2)(CC[C@](OC([Te]C=2C=CC=CC2)=O)(C4)[H])C)CC[C@@]1([C@@](CCCC(C)C)(C)[H])[H])C