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11.BETA.,17.BETA.-DIHYDROXY-17.ALPHA.-METHYL-ANDROST-4-ENE-3-ONE
SpectraBase Compound ID 9bG4qUBWTV5
InChI InChI=1S/C20H30O3/c1-18-8-6-13(21)10-12(18)4-5-14-15-7-9-20(3,23)19(15,2)11-16(22)17(14)18/h10,14-17,22-23H,4-9,11H2,1-3H3/t14-,15-,16-,17+,18-,19-,20-/m0/s1
InChIKey UBIBSXMTVJAYTQ-OWLVHUDESA-N
Mol Weight 318.46 g/mol
Molecular Formula C20H30O3
Exact Mass 318.219495 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1CZdUjt51M
Name 11.BETA.,17.BETA.-DIHYDROXY-17.ALPHA.-METHYL-ANDROST-4-ENE-3-ONE
Copyright Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 318.219494823 u
Formula C20H30O3
InChI InChI=1S/C20H30O3/c1-18-8-6-13(21)10-12(18)4-5-14-15-7-9-20(3,23)19(15,2)11-16(22)17(14)18/h10,14-17,22-23H,4-9,11H2,1-3H3/t14-,15-,16-,17+,18-,19-,20-/m0/s1
InChIKey UBIBSXMTVJAYTQ-OWLVHUDESA-N
Molecular Weight 318.457 g/mol
Nominal Mass 318 u
Number of Peaks 119
SMILES O[C@@]1([C@]2(C[C@@]([C@@]3([C@]4(CCC(C=C4CC[C@]3([C@@]2(CC1)[H])[H])=O)C)[H])(O)[H])C)C
SPLASH splash10-0006-7931000000-20de5ab973b5858b233a
Source File Reference LMCM-63472-680L
Source of Spectrum Prof. Spiteller, University Bayreuth, Germany
Synonyms 11,17-DIHYDROXY-17-METHYLANDROST-4-EN-3-ONE (8S,9S,10R,11S,13S,14S,17S)-11,17-dihydroxy-10,13,17-trimethyl-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3(2H)-one
Wiley ID 4_233