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25-Coprosten-16,22-epoxy-3.alpha.-ol acetate

View entire compound with spectra: 1 NMR

25-Coprosten-16,22-epoxy-3.alpha.-ol acetate
SpectraBase Compound ID ESldBNhcgtq
InChI InChI=1S/C29H46O3/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/h18,20-27H,1,7-16H2,2-6H3
InChIKey PZOPBAJBWUHJQE-UHFFFAOYSA-N
Mol Weight 442.7 g/mol
Molecular Formula C29H46O3
Exact Mass 442.344695 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BHROkkvwzD8
Name 25-Coprosten-16,22-epoxy-3.alpha.-ol acetate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 442.344695338 u
Formula C29H46O3
InChI InChI=1S/C29H46O3/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/h18,20-27H,1,7-16H2,2-6H3
InChIKey PZOPBAJBWUHJQE-UHFFFAOYSA-N
Molecular Weight 442.684 g/mol
SMILES C1(CCC2(C(C1)CCC1C2CCC2(C1CC1C2C(C)C(CCC(=C)C)O1)C)C)OC(=O)C