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4,16-Cholestdiene 21.xi-methyl

View entire compound with spectra: 1 NMR, and 1 FTIR

4,16-Cholestdiene 21.xi-methyl
SpectraBase Compound ID 2gMm1mzAoOS
InChI InChI=1S/C27H44/c1-19(2)9-8-10-20(3)23-14-15-24-22-13-12-21-11-6-7-17-26(21,4)25(22)16-18-27(23,24)5/h11,14,19-20,22,24-25H,6-10,12-13,15-18H2,1-5H3
InChIKey MPGBVZUINCYNIC-UHFFFAOYSA-N
Mol Weight 368.6 g/mol
Molecular Formula C27H44
Exact Mass 368.344301 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9NnrNGsytz0
Name 4,16-Cholestdiene 21.xi-methyl
Comments Computed using HOSE algorithm
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Exact Mass 368.344301417 u
Formula C27H44
InChI InChI=1S/C27H44/c1-19(2)9-8-10-20(3)23-14-15-24-22-13-12-21-11-6-7-17-26(21,4)25(22)16-18-27(23,24)5/h11,14,19-20,22,24-25H,6-10,12-13,15-18H2,1-5H3
InChIKey MPGBVZUINCYNIC-UHFFFAOYSA-N
Molecular Weight 368.649 g/mol
SMILES C1CCC2(C(=C1)CCC1C2CCC2(C1CC=C2C(C)CCCC(C)C)C)C