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3,11-Dihydroxypregnan-20-one
SpectraBase Compound ID FUpZPyjNav
InChI InChI=1S/C21H34O3/c1-12(22)16-6-7-17-15-5-4-13-10-14(23)8-9-20(13,2)19(15)18(24)11-21(16,17)3/h13-19,23-24H,4-11H2,1-3H3/t13-,14+,15-,16+,17-,18-,19+,20-,21+/m0/s1
InChIKey NFVCQZNBRFPYOP-DAVHWALQSA-N
Mol Weight 334.5 g/mol
Molecular Formula C21H34O3
Exact Mass 334.250795 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HCKvkSSwGmq
Name 3.ALPHA.,11.BETA.-DIHYDROXY-5.ALPHA.-PREGNAN-20-ONE
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Exact Mass 334.250794952 u
Formula C21H34O3
InChI InChI=1S/C21H34O3/c1-12(22)16-6-7-17-15-5-4-13-10-14(23)8-9-20(13,2)19(15)18(24)11-21(16,17)3/h13-19,23-24H,4-11H2,1-3H3/t13-,14+,15-,16+,17-,18-,19+,20-,21+/m0/s1
InChIKey NFVCQZNBRFPYOP-DAVHWALQSA-N
Molecular Weight 334.500 g/mol
Nominal Mass 334 u
Number of Peaks 136
SMILES O[C@@]1([C@@]2([C@]3(CC[C@](C[C@@]3(CC[C@]2([C@@]2(CC[C@@]([C@]2(C1)C)(C(C)=O)[H])[H])[H])[H])(O)[H])C)[H])[H]
SPLASH splash10-00kf-9733000000-32b36a11b5173b590ef2
Source File Reference LMCM-43875-306M
Source of Spectrum Prof. Spiteller, University Bayreuth, Germany
Synonyms 3,11-DIHYDROXYPREGNAN-20-ONE 1-((3R,5S,8S,9S,10S,11S,13S,14S,17S)-3,11-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)ethanone
Wiley ID 4_355