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Androsta-1,4-dien-3-one, 12,17-dihydroxy-, (12.beta.,17.beta.)-
SpectraBase Compound ID 56PGy2qeDk8
InChI InChI=1S/C19H26O3/c1-18-8-7-12(20)9-11(18)3-4-13-14-5-6-16(21)19(14,2)17(22)10-15(13)18/h7-9,13-17,21-22H,3-6,10H2,1-2H3/t13-,14-,15-,16-,17+,18-,19-/m0/s1
InChIKey YNDYMQKNFWZINQ-SLMGBJJTSA-N
Mol Weight 302.41 g/mol
Molecular Formula C19H26O3
Exact Mass 302.188195 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KFgPjg2LxdD
Name Androsta-1,4-dien-3-one, 12,17-dihydroxy-, (12.beta.,17.beta.)-
CAS Registry Number 80227-48-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H26O3
InChI InChI=1S/C19H26O3/c1-18-8-7-12(20)9-11(18)3-4-13-14-5-6-16(21)19(14,2)17(22)10-15(13)18/h7-9,13-17,21-22H,3-6,10H2,1-2H3/t13-,14-,15-,16-,17+,18-,19-/m0/s1
InChIKey YNDYMQKNFWZINQ-SLMGBJJTSA-N
Molecular Weight 302.414 g/mol
SMILES O[C@]1([C@@]2([C@](CC[C@]2([C@@]2(CCC=3[C@@]([C@]2(C1)[H])(C=CC(C3)=O)C)[H])[H])(O)[H])C)[H]
SPLASH splash10-00di-0911000000-15b27d40a402753aab24
Source of Spectrum F-37-2512-0
Synonyms (12beta,17beta)-12,17-dihydroxyandrosta-1,4-dien-3-one 12.beta.,17.beta.-dihydroxyandrosta-1,4-dien-3-one 12.beta.,17.beta.-dihydroxyandrosta-1,4-diene-3-one (8R,9S,10R,12R,13S,14S,17S)-10,13-dimethyl-12,17-bis(oxidanyl)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one
Wiley ID 1304961