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ANDROST-4-ENE-15.ALPHA.-OL-3,17-DIONE
SpectraBase Compound ID 3z2gkNKAT2B
InChI InChI=1S/C19H26O3/c1-18-7-5-12(20)9-11(18)3-4-13-14(18)6-8-19(2)16(22)10-15(21)17(13)19/h9,13-15,17,21H,3-8,10H2,1-2H3/t13-,14+,15+,17-,18+,19-/m1/s1
InChIKey MYKMKUGZFQKMOZ-CKDIOHLVSA-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 FjcEBZjLP6G
Name ANDROST-4-ENE-15.ALPHA.-OL-3,17-DIONE
CAS Registry Number 566-08-5
Copyright Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 302.188194694 u
Formula C19H26O3
InChI InChI=1S/C19H26O3/c1-18-7-5-12(20)9-11(18)3-4-13-14(18)6-8-19(2)16(22)10-15(21)17(13)19/h9,13-15,17,21H,3-8,10H2,1-2H3/t13-,14+,15+,17-,18+,19-/m1/s1
InChIKey MYKMKUGZFQKMOZ-CKDIOHLVSA-N
Molecular Weight 302.414 g/mol
Nominal Mass 302 u
Number of Peaks 98
SMILES O[C@@]1([C@]2([C@@]3(CCC4=CC(CC[C@@]4([C@]3(CC[C@@]2(C(C1)=O)C)[H])C)=O)[H])[H])[H]
SPLASH splash10-0m90-7921000000-519272efbea2f9d41bdc
Source File Reference LMCM-14998-101M
Source of Spectrum Dr. Makin, London Hospital Medical College, UK
Synonyms 15-HYDROXYANDROST-4-ENE-3,17-DIONE (8R,9S,10R,13S,14S,15S)-15-hydroxy-10,13-dimethyl-7,8,9,10,11,12,13,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17(2H,6H)-dione
Wiley ID 4_618