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Etiocholanolone

View entire compound with spectra: 3 NMR, 2 FTIR, 1 Raman, and 3 MS (GC)

Etiocholanolone
SpectraBase Compound ID BcZ7I2DXbwk
InChI InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12-16,20H,3-11H2,1-2H3/t12-,13-,14+,15+,16+,18+,19+/m1/s1
InChIKey QGXBDMJGAMFCBF-BNSUEQOYSA-N
Mol Weight 290.45 g/mol
Molecular Formula C19H30O2
Exact Mass 290.22458 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HC43bmpSjyi
Name Etiocholanolone
Source of Sample E. Merck AG, Darmstadt, Germany
Comments Tentative assignment; Some carbon atoms are unassigned
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H30O2
InChI InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12-16,20H,3-11H2,1-2H3/t12-,13-,14+,15+,16+,18+,19+/m1/s1
InChIKey QGXBDMJGAMFCBF-BNSUEQOYSA-N
Melting Point 182-183C
Molecular Weight 290.45
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20
Synonyms ANDROSTAN-17-ONE, 3A-HYDROXY-, /plus/-,