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Epietiocholanolone
SpectraBase Compound ID DryONrwAKPe
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-XRJZGPCZSA-N
Mol Weight 290.45 g/mol
Molecular Formula C19H30O2
Exact Mass 290.22458 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5YBAKtGsVs0
Name 3-beta-Etiocholanolone
Classification Pharmaceutical drug, immunostimulant
Comments Spectrum verified by independent measurements in external laboratories
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 290.224580204 u
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-XRJZGPCZSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 290.447 g/mol
Nominal Mass 290 u
Quality 918
Retention Index 2360
SMILES O[C@@]1(C[C@@]2([C@@]([C@@]3([C@]([C@]4([C@@](C(CC4)=O)(CC3)C)[H])(CC2)[H])[H])(CC1)C)[H])[H]
SPLASH splash10-0a4l-6930000000-9adc6f6a5438a7cd15bd
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 3beta-Aetiocholanolone 3beta-Hydroxy-5beta-androstan-17-one
Technique GC/MS
Wiley ID DD2024_007793