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Cholesterol, 7-oxo-, propionate

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

Cholesterol, 7-oxo-, propionate
SpectraBase Compound ID 5DKrkKdjF0v
InChI InChI=1S/C30H48O3/c1-7-27(32)33-22-13-15-29(5)21(17-22)18-26(31)28-24-12-11-23(20(4)10-8-9-19(2)3)30(24,6)16-14-25(28)29/h18-20,22-25,28H,7-17H2,1-6H3
InChIKey XPTOKFBDTJTLSG-UHFFFAOYSA-N
Mol Weight 456.7 g/mol
Molecular Formula C30H48O3
Exact Mass 456.360345 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 91dJWLkRyP6
Name Cholesterol, 7-oxo-, propionate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 456.360345403 u
Formula C30H48O3
InChI InChI=1S/C30H48O3/c1-7-27(32)33-22-13-15-29(5)21(17-22)18-26(31)28-24-12-11-23(20(4)10-8-9-19(2)3)30(24,6)16-14-25(28)29/h18-20,22-25,28H,7-17H2,1-6H3
InChIKey XPTOKFBDTJTLSG-UHFFFAOYSA-N
Molecular Weight 456.711 g/mol
SMILES C1CC2(C(CC1OC(CC)=O)=CC(C1C2CCC2(C1CCC2C(CCCC(C)C)C)C)=O)C