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(11-alpha,16-beta)-11,16-dihydroxypregna-4-ene-3-one
SpectraBase Compound ID C0VsZY2c7u7
InChI InChI=1S/C21H32O3/c1-4-15-17(23)10-16-14-6-5-12-9-13(22)7-8-20(12,2)19(14)18(24)11-21(15,16)3/h9,14-19,23-24H,4-8,10-11H2,1-3H3/t14-,15-,16-,17-,18+,19+,20-,21+/m0/s1
InChIKey YOMLFTHBOYBIBP-IJEMIBLKSA-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 CaJ0TjNz5cg
Name (11-alpha,16-beta)-11,16-dihydroxypregna-4-ene-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H32O3
InChI InChI=1S/C21H32O3/c1-4-15-17(23)10-16-14-6-5-12-9-13(22)7-8-20(12,2)19(14)18(24)11-21(15,16)3/h9,14-19,23-24H,4-8,10-11H2,1-3H3/t14-,15-,16-,17-,18+,19+,20-,21+/m0/s1
InChIKey YOMLFTHBOYBIBP-IJEMIBLKSA-N
Molecular Weight 332.484 g/mol
SMILES O[C@]1([C@@]2([C@]3(CCC(C=C3CC[C@]2([C@@]2(C[C@@]([C@@]([C@]2(C1)C)(CC)[H])(O)[H])[H])[H])=O)C)[H])[H]
SPLASH splash10-053s-9863000000-547073b36ddc2a3d0d6a
Source of Spectrum CBD-2-523-8
Synonyms (8S,9S,10R,11R,13S,14S,16S,17R)-17-ethyl-11,16-dihydroxy-10,13-dimethyl-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-3H-cyclopenta[a]phenanthren-3-one
Wiley ID 1792489