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16,22-Epoxycoprostan-3.beta.-ol acetate

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

16,22-Epoxycoprostan-3.beta.-ol acetate
SpectraBase Compound ID 8YIAkpe3ohX
InChI InChI=1S/C29H48O3/c1-17(2)7-10-25-18(3)27-26(32-25)16-24-22-9-8-20-15-21(31-19(4)30)11-13-28(20,5)23(22)12-14-29(24,27)6/h17-18,20-27H,7-16H2,1-6H3
InChIKey HLXZOXFCKSGWCW-UHFFFAOYSA-N
Mol Weight 444.7 g/mol
Molecular Formula C29H48O3
Exact Mass 444.360345 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HDmi8mR12ZF
Name 16,22-Epoxycoprostan-3.beta.-ol acetate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 444.360345403 u
Formula C29H48O3
InChI InChI=1S/C29H48O3/c1-17(2)7-10-25-18(3)27-26(32-25)16-24-22-9-8-20-15-21(31-19(4)30)11-13-28(20,5)23(22)12-14-29(24,27)6/h17-18,20-27H,7-16H2,1-6H3
InChIKey HLXZOXFCKSGWCW-UHFFFAOYSA-N
Molecular Weight 444.700 g/mol
SMILES C1(CCC2(C(C1)CCC1C2CCC2(C1CC1C2C(C)C(O1)CCC(C)C)C)C)OC(=O)C