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3,5-Cyclocholestane, (3.beta.,5.alpha.)-

View entire compound with spectra: 2 NMR

3,5-Cyclocholestane, (3.beta.,5.alpha.)-
SpectraBase Compound ID Fv4IE9YjSaA
InChI InChI=1S/C27H46/c1-18(2)7-6-8-19(3)22-9-10-23-21-12-16-27-17-20(27)11-15-26(27,5)24(21)13-14-25(22,23)4/h18-24H,6-17H2,1-5H3/t19?,20-,21?,22?,23?,24?,25?,26-,27?/m1/s1
InChIKey MYUSPBGUUVXDMH-FBRYHHQTSA-N
Mol Weight 370.7 g/mol
Molecular Formula C27H46
Exact Mass 370.359951 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID InMbaljVx12
Name 3,5-Cyclocholestane, (3.beta.,5.alpha.)-
Comments Computed using HOSE algorithm
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Exact Mass 370.359951481 u
Formula C27H46
InChI InChI=1S/C27H46/c1-18(2)7-6-8-19(3)22-9-10-23-21-12-16-27-17-20(27)11-15-26(27,5)24(21)13-14-25(22,23)4/h18-24H,6-17H2,1-5H3/t19?,20-,21?,22?,23?,24?,25?,26-,27?/m1/s1
InChIKey MYUSPBGUUVXDMH-FBRYHHQTSA-N
Molecular Weight 370.665 g/mol
SMILES C[C@@]12C3([C@@](C3)(CC1)[H])CCC1C2CCC2(C1CCC2C(CCCC(C)C)C)C