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3-Hydroxy-Estra-1,3,5(10),9(11)-tetraen-12-one
SpectraBase Compound ID 3VO1tt1oAU7
InChI InChI=1S/C18H20O2/c1-18-8-2-3-16(18)14-6-4-11-9-12(19)5-7-13(11)15(14)10-17(18)20/h5,7,9-10,14,16,19H,2-4,6,8H2,1H3/t14-,16+,18-/m1/s1
InChIKey CWQONHCYWLYJJO-UWWQBHOKSA-N
Mol Weight 268.36 g/mol
Molecular Formula C18H20O2
Exact Mass 268.14633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2UstaYONg0H
Name 3-Hydroxy-Estra-1,3,5(10),9(11)-tetraen-12-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H20O2
InChI InChI=1S/C18H20O2/c1-18-8-2-3-16(18)14-6-4-11-9-12(19)5-7-13(11)15(14)10-17(18)20/h5,7,9-10,14,16,19H,2-4,6,8H2,1H3/t14-,16+,18-/m1/s1
InChIKey CWQONHCYWLYJJO-UWWQBHOKSA-N
Literature Reference DOI 10.1002/cber.19711040807
Molecular Weight 268.356 g/mol
SMILES Oc1ccc2C3=CC([C@@]4(CCC[C@]4([C@@]3(CCc2c1)[H])[H])C)=O
SPLASH splash10-05n0-0960000000-d228beef40489b5e4ae4
Source of Spectrum K-104-2399-6e
Synonyms (8S,13R,14S)-3-hydroxy-13-methyl-6,7,8,13,14,15,16,17-octahydro-12H-cyclopenta[a]phenanthren-12-one
Wiley ID 1793439