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.beta.-Sitosterol, propionate

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

.beta.-Sitosterol, propionate
SpectraBase Compound ID BRwRSVgLeTa
InChI InChI=1S/C32H54O2/c1-8-23(21(3)4)11-10-22(5)27-14-15-28-26-13-12-24-20-25(34-30(33)9-2)16-18-31(24,6)29(26)17-19-32(27,28)7/h12,21-23,25-29H,8-11,13-20H2,1-7H3
InChIKey WOFGYPJQOSNRRE-UHFFFAOYSA-N
Mol Weight 470.8 g/mol
Molecular Formula C32H54O2
Exact Mass 470.412381 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5Z2XOLbNCRN
Name .beta.-Sitosterol, propionate
Comments Computed using HOSE algorithm
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Exact Mass 470.412380977 u
Formula C32H54O2
InChI InChI=1S/C32H54O2/c1-8-23(21(3)4)11-10-22(5)27-14-15-28-26-13-12-24-20-25(34-30(33)9-2)16-18-31(24,6)29(26)17-19-32(27,28)7/h12,21-23,25-29H,8-11,13-20H2,1-7H3
InChIKey WOFGYPJQOSNRRE-UHFFFAOYSA-N
Molecular Weight 470.782 g/mol
SMILES C1CC2(C(CC1OC(=O)CC)=CCC1C2CCC2(C1CCC2C(CCC(C(C)C)CC)C)C)C