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17-.beta.-Hydroxyestra-5(10),9(11)-dien-3-one 3-ethylene ketal
SpectraBase Compound ID HlLZTE2tjNg
InChI InChI=1S/C20H28O3/c1-19-8-6-15-14-7-9-20(22-10-11-23-20)12-13(14)2-3-16(15)17(19)4-5-18(19)21/h6,16-18,21H,2-5,7-12H2,1H3/t16?,17?,18-,19?/m0/s1
InChIKey HBALUDUEPPHSAX-VVXOGMOBSA-N
Mol Weight 316.44 g/mol
Molecular Formula C20H28O3
Exact Mass 316.203845 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4TTaUX5o12z
Name 17-.beta.-Hydroxyestra-5(10),9(11)-dien-3-one 3-ethylene ketal
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Formula C20H28O3
InChI InChI=1S/C20H28O3/c1-19-8-6-15-14-7-9-20(22-10-11-23-20)12-13(14)2-3-16(15)17(19)4-5-18(19)21/h6,16-18,21H,2-5,7-12H2,1H3/t16?,17?,18-,19?/m0/s1
InChIKey HBALUDUEPPHSAX-VVXOGMOBSA-N
Molecular Weight 316.441 g/mol
SMILES O[C@@]1(C2(CC=C3C4=C(CC5(CC4)OCCO5)CCC3C2CC1)C)[H]
SPLASH splash10-0002-0091000000-58612fd4da432a383bb6
Source of Spectrum KC-1993-1533-10b
Synonyms (8'S,13'S,14'S,17'S)-13'-methyl-17'-spiro[1,3-dioxolane-2,3'-2,4,6,7,8,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene]ol
Wiley ID 778149