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5β-Androstan-17β-ol-3-one
SpectraBase Compound ID DcaOJxyzNgh
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/h12,14-17,21H,3-11H2,1-2H3/t12-,14+,15+,16+,17+,18+,19+/m1/s1
InChIKey NVKAWKQGWWIWPM-MISPCMORSA-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 D0hl00B2Xoo
Name ANDROSTAN-3-ONE, 17-HYDROXY-, (5.BETA.,17.BETA.)-
CAS Registry Number 571-22-2
Copyright Copyright © 2011-2024 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/h12,14-17,21H,3-11H2,1-2H3/t12-,14+,15+,16+,17+,18+,19+/m1/s1
InChIKey NVKAWKQGWWIWPM-MISPCMORSA-N
Molecular Weight 290.447 g/mol
Nominal Mass 290 u
Number of Peaks 259
SMILES O[C@]1(CC[C@]2([C@@]3(CC[C@@]4(CC(CC[C@@]4([C@]3(CC[C@]12C)[H])C)=O)[H])[H])[H])[H]
SPLASH splash10-0006-9860000000-122839b30c42edd0b3a9
Source File Reference LMCM-13472-857Z
Source of Spectrum Prof. D. Henneberg, MPI f. Kohlenforschung, Muelheim a.d.R., Germany
Synonyms 17.BETA.-HYDROXY-5.BETA.-ANDROSTAN-3-ONE 17-HYDROXYANDROSTAN-3-ONE (1S,2S,7R,10R,11S,14S,15S)-14-hydroxy-2,15-dimethyltetracyclo[8.7.0.0(2,7).0(11,15)]heptadecan-5-one
Wiley ID 8_39901