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3-Methoxy-13-methyl-16-(phenylthio)-7,8,9,11,12,13,14,15-octahydro-6H-cyclopenta[a]phenanthrene
SpectraBase Compound ID IsQHoyF2XYb
InChI InChI=1S/C25H28OS/c1-25-13-12-22-21-11-9-18(26-2)14-17(21)8-10-23(22)24(25)15-20(16-25)27-19-6-4-3-5-7-19/h3-7,9,11,14,16,22-24H,8,10,12-13,15H2,1-2H3
InChIKey JOFJLPSZAHFUFB-UHFFFAOYSA-N
Mol Weight 376.56 g/mol
Molecular Formula C25H28OS
Exact Mass 376.186087 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BLEuv3g6aJ2
Name 3-Methoxy-13-methyl-16-(phenylthio)-7,8,9,11,12,13,14,15-octahydro-6H-cyclopenta[a]phenanthrene
Alternate Name(s) 3-Methoxy-16-(phenylsulfanyl)estra-1(10),2,4,16-tetraene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H28OS
InChI InChI=1S/C25H28OS/c1-25-13-12-22-21-11-9-18(26-2)14-17(21)8-10-23(22)24(25)15-20(16-25)27-19-6-4-3-5-7-19/h3-7,9,11,14,16,22-24H,8,10,12-13,15H2,1-2H3
InChIKey JOFJLPSZAHFUFB-UHFFFAOYSA-N
Molecular Weight 376.558 g/mol
SMILES C12(C(C3CCc4c(C3CC2)ccc(OC)c4)CC(=C1)Sc1ccccc1)C
SPLASH splash10-03di-0009000000-5db866773ba6cb10712f
Source of Spectrum J-58-4861-7
Wiley ID 1358061