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5-Pregnen-3.beta.-ol-20-one, butyrate

View entire compound with spectra: 1 NMR

5-Pregnen-3.beta.-ol-20-one, butyrate
SpectraBase Compound ID KeyZIEYJhcM
InChI InChI=1S/C25H38O3/c1-5-6-23(27)28-18-11-13-24(3)17(15-18)7-8-19-21-10-9-20(16(2)26)25(21,4)14-12-22(19)24/h7,18-22H,5-6,8-15H2,1-4H3
InChIKey DTHSTPZCWGYBFE-UHFFFAOYSA-N
Mol Weight 386.6 g/mol
Molecular Formula C25H38O3
Exact Mass 386.282095 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8WJR7HMLBgx
Name 5-Pregnen-3.beta.-ol-20-one, butyrate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 386.282095081 u
Formula C25H38O3
InChI InChI=1S/C25H38O3/c1-5-6-23(27)28-18-11-13-24(3)17(15-18)7-8-19-21-10-9-20(16(2)26)25(21,4)14-12-22(19)24/h7,18-22H,5-6,8-15H2,1-4H3
InChIKey DTHSTPZCWGYBFE-UHFFFAOYSA-N
Molecular Weight 386.576 g/mol
SMILES CCCC(OC1CC=2C(C3CCC4(C(C(C)=O)CCC4C3CC2)C)(CC1)C)=O