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ANDROST-4-ENE-14-OL-3,17-DIONE
SpectraBase Compound ID HW0AjYc9a1Z
InChI InChI=1S/C19H26O3/c1-17-8-5-13(20)11-12(17)3-4-15-14(17)6-9-18(2)16(21)7-10-19(15,18)22/h11,14-15,22H,3-10H2,1-2H3/t14-,15+,17-,18+,19?/m0/s1
InChIKey XEYANIGWTWXVBC-FJSLRHLXSA-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 FiX2e0ruyoP
Name ANDROST-4-ENE-14-OL-3,17-DIONE
CAS Registry Number 564-63-6
Copyright Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 302.188194694 u
Formula C19H26O3
InChI InChI=1S/C19H26O3/c1-17-8-5-13(20)11-12(17)3-4-15-14(17)6-9-18(2)16(21)7-10-19(15,18)22/h11,14-15,22H,3-10H2,1-2H3/t14-,15+,17-,18+,19?/m0/s1
InChIKey XEYANIGWTWXVBC-FJSLRHLXSA-N
Molecular Weight 302.414 g/mol
Nominal Mass 302 u
Number of Peaks 142
SMILES OC12[C@@]3(CCC4=CC(CC[C@@]4([C@]3(CC[C@@]1(C(CC2)=O)C)[H])C)=O)[H]
SPLASH splash10-0gkc-6921000000-756d2e4f0833e1cfa906
Source File Reference LMCM-68409-186F
Source of Spectrum Dr. Makin, London Hospital Medical College, UK
Synonyms 14-HYDROXYANDROST-4-ENE-3,17-DIONE (8R,9S,10R,13S)-14-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_627