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(20R)-20-Hydroxy-1,4,6-pregnatrien-3-one
SpectraBase Compound ID D0CMMlwubGT
InChI InChI=1S/C21H28O2/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/h4-5,8,10,12-13,16-19,22H,6-7,9,11H2,1-3H3/t13-,16+,17-,18+,19+,20+,21-/m1/s1
InChIKey LADYFCFWANVKKA-SJOKZOANSA-N
Mol Weight 312.45 g/mol
Molecular Formula C21H28O2
Exact Mass 312.20893 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LydnlxwUhxP
Name (20R)-20-Hydroxy-1,4,6-pregnatrien-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H28O2
InChI InChI=1S/C21H28O2/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/h4-5,8,10,12-13,16-19,22H,6-7,9,11H2,1-3H3/t13-,16+,17-,18+,19+,20+,21-/m1/s1
InChIKey LADYFCFWANVKKA-SJOKZOANSA-N
Molecular Weight 312.453 g/mol
SMILES O[C@@]([C@@]1([C@]2(CC[C@]3([C@]([C@@]2(CC1)[H])(C=CC=1[C@@]3(C=CC(=O)C1)C)[H])[H])C)[H])(C)[H]
SPLASH splash10-000i-3951000000-e9c24e1ca52019ee335f
Source of Spectrum H-64-1889-0
Synonyms (20R)-20-hydroxypregna-1,4,6-trien-3-one (8S,9S,10R,13S,14S,17S)-10,13-dimethyl-17-[(1R)-1-oxidanylethyl]-8,9,11,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-3-one
Wiley ID 1313879