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17-Ethynyl-13-methyl-17-methylthiomethoxy-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene
SpectraBase Compound ID BjXNwD0kNsb
InChI InChI=1S/C22H32OS/c1-4-22(23-15-24-3)14-12-20-19-10-9-16-7-5-6-8-17(16)18(19)11-13-21(20,22)2/h1,7,17-20H,5-6,8-15H2,2-3H3
InChIKey BYUZNXZRESTWGJ-UHFFFAOYSA-N
Mol Weight 344.6 g/mol
Molecular Formula C22H32OS
Exact Mass 344.217387 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B4daQhZKvpI
Name 17-Ethynyl-13-methyl-17-methylthiomethoxy-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene
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Formula C22H32OS
InChI InChI=1S/C22H32OS/c1-4-22(23-15-24-3)14-12-20-19-10-9-16-7-5-6-8-17(16)18(19)11-13-21(20,22)2/h1,7,17-20H,5-6,8-15H2,2-3H3
InChIKey BYUZNXZRESTWGJ-UHFFFAOYSA-N
Molecular Weight 344.557 g/mol
SMILES C=1CCCC2C3C(CCC12)C1C(CC3)(C(CC1)(OCSC)C#C)C
SPLASH splash10-01r5-7942000000-464cfc5d57f0e2ee3150
Synonyms 17-ethynyl-13-methyl-17-(methylsulfanylmethoxy)-2,3,6,7,8,9,10,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene 17-ethynyl-13-methyl-17-[(methylthio)methoxy]-2,3,6,7,8,9,10,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene 17-Ethynyl-17-[(methylsulfanyl)methoxy]estr-4-ene 4-Estrene, 17-ethynyl-17-methylthiomethoxy-
Wiley ID 1483904