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5.beta.-Coprostan-16,22-epoxy-3.alpha.,25,26-triol

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

5.beta.-Coprostan-16,22-epoxy-3.alpha.,25,26-triol
SpectraBase Compound ID KFhYXiyTcZn
InChI InChI=1S/C27H46O4/c1-16-22(9-10-25(2,30)15-28)31-23-14-21-19-6-5-17-13-18(29)7-11-26(17,3)20(19)8-12-27(21,4)24(16)23/h16-24,28-30H,5-15H2,1-4H3
InChIKey VNUQYDCQNQRHNB-UHFFFAOYSA-N
Mol Weight 434.7 g/mol
Molecular Formula C27H46O4
Exact Mass 434.33961 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4TFVj4vtwCg
Name 5.beta.-Coprostan-16,22-epoxy-3.alpha.,25,26-triol
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 434.339609957 u
Formula C27H46O4
InChI InChI=1S/C27H46O4/c1-16-22(9-10-25(2,30)15-28)31-23-14-21-19-6-5-17-13-18(29)7-11-26(17,3)20(19)8-12-27(21,4)24(16)23/h16-24,28-30H,5-15H2,1-4H3
InChIKey VNUQYDCQNQRHNB-UHFFFAOYSA-N
Molecular Weight 434.661 g/mol
SMILES C(O)(CCC1C(C2C3(CCC4C5(CCC(CC5CCC4C3CC2O1)O)C)C)C)(C)CO