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3.BETA.,11.ALPHA.-DIHYDROXY-PREGN-5-ENE-20-ONE
SpectraBase Compound ID 38zl5tx2mG0
InChI InChI=1S/C21H32O3/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/h4,14-19,23-24H,5-11H2,1-3H3/t14-,15-,16+,17-,18+,19+,20-,21+/m0/s1
InChIKey MWFVCWVMFCXVJV-WRFRBDJMSA-N
Mol Weight 332.5 g/mol
Molecular Formula C21H32O3
Exact Mass 332.235145 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2PlzK5Fn4i
Name 3.BETA.,11.ALPHA.-DIHYDROXY-PREGN-5-ENE-20-ONE
Copyright Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 332.235144887 u
Formula C21H32O3
InChI InChI=1S/C21H32O3/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/h4,14-19,23-24H,5-11H2,1-3H3/t14-,15-,16+,17-,18+,19+,20-,21+/m0/s1
InChIKey MWFVCWVMFCXVJV-WRFRBDJMSA-N
Molecular Weight 332.484 g/mol
Nominal Mass 332 u
Number of Peaks 119
SMILES O[C@]1([C@@]2([C@]3(CC[C@@](CC3=CC[C@]2([C@@]2(CC[C@@]([C@]2(C1)C)(C(C)=O)[H])[H])[H])(O)[H])C)[H])[H]
SPLASH splash10-0536-9713000000-86a2f02899d836994669
Source File Reference LMCM-45713-570U
Source of Spectrum Prof. Spiteller, University Bayreuth, Germany
Synonyms 3,11-DIHYDROXYPREGN-5-EN-20-ONE 1-((3S,8S,9S,10R,11R,13S,14S,17S)-3,11-dihydroxy-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)ethanone
Wiley ID 4_369