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3.BETA.,20.ALPHA.-DIHYDROXY-5.ALPHA.-PREGNAN
SpectraBase Compound ID p35etPD32q
InChI InChI=1S/C21H36O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h13-19,22-23H,4-12H2,1-3H3/t13-,14-,15-,16-,17+,18-,19-,20-,21+/m0/s1
InChIKey YWYQTGBBEZQBGO-ZVPCKFNKSA-N
Mol Weight 320.5 g/mol
Molecular Formula C21H36O2
Exact Mass 320.27153 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3U68X7WZAPX
Name 3.BETA.,20.ALPHA.-DIHYDROXY-5.ALPHA.-PREGNAN
Copyright Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 320.271530397 u
Formula C21H36O2
InChI InChI=1S/C21H36O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h13-19,22-23H,4-12H2,1-3H3/t13-,14-,15-,16-,17+,18-,19-,20-,21+/m0/s1
InChIKey YWYQTGBBEZQBGO-ZVPCKFNKSA-N
Molecular Weight 320.517 g/mol
Nominal Mass 320 u
Number of Peaks 83
SMILES O[C@]([C@@]1([C@]2(CC[C@@]3([C@]4(CC[C@@](C[C@@]4(CC[C@]3([C@@]2(CC1)[H])[H])[H])(O)[H])C)[H])C)[H])(C)[H]
SPLASH splash10-053r-9671000000-6c6e29fbe23a13c83ccd
Source File Reference LMCM-99187-628L
Source of Spectrum Prof. Spiteller, University Bayreuth, Germany
Synonyms PREGNANE-3,20-DIOL (3S,5S,8R,9S,10S,13S,14S,17S)-17-((S)-1-hydroxyethyl)-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-3-ol
Wiley ID 4_383