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Campesterol, propionate

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

Campesterol, propionate
SpectraBase Compound ID Ec4hSm106q
InChI InChI=1S/C31H52O2/c1-8-29(32)33-24-15-17-30(6)23(19-24)11-12-25-27-14-13-26(31(27,7)18-16-28(25)30)22(5)10-9-21(4)20(2)3/h11,20-22,24-28H,8-10,12-19H2,1-7H3
InChIKey TXDYOVXQISONGY-UHFFFAOYSA-N
Mol Weight 456.8 g/mol
Molecular Formula C31H52O2
Exact Mass 456.396731 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4mi9qyWtGJ9
Name Campesterol, propionate
Comments Computed using HOSE algorithm
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Exact Mass 456.396730912 u
Formula C31H52O2
InChI InChI=1S/C31H52O2/c1-8-29(32)33-24-15-17-30(6)23(19-24)11-12-25-27-14-13-26(31(27,7)18-16-28(25)30)22(5)10-9-21(4)20(2)3/h11,20-22,24-28H,8-10,12-19H2,1-7H3
InChIKey TXDYOVXQISONGY-UHFFFAOYSA-N
Molecular Weight 456.755 g/mol
SMILES C1CC2(C(CC1OC(CC)=O)=CCC1C2CCC2(C1CCC2C(CCC(C(C)C)C)C)C)C