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3-Methoxy-13-methyl-16-oxo-17-(phenylthio)-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene
SpectraBase Compound ID AC0gLURFmlC
InChI InChI=1S/C25H28O2S/c1-25-13-12-20-19-11-9-17(27-2)14-16(19)8-10-21(20)22(25)15-23(26)24(25)28-18-6-4-3-5-7-18/h3-7,9,11,14,20-22,24H,8,10,12-13,15H2,1-2H3
InChIKey GGDLELZMPIITKW-UHFFFAOYSA-N
Mol Weight 392.56 g/mol
Molecular Formula C25H28O2S
Exact Mass 392.181001 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Bh9XQuUHQTd
Name 3-Methoxy-13-methyl-16-oxo-17-(phenylthio)-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H28O2S
InChI InChI=1S/C25H28O2S/c1-25-13-12-20-19-11-9-17(27-2)14-16(19)8-10-21(20)22(25)15-23(26)24(25)28-18-6-4-3-5-7-18/h3-7,9,11,14,20-22,24H,8,10,12-13,15H2,1-2H3
InChIKey GGDLELZMPIITKW-UHFFFAOYSA-N
Molecular Weight 392.557 g/mol
SMILES C12(C(C3CCc4c(C3CC2)ccc(OC)c4)CC(C1Sc1ccccc1)=O)C
SPLASH splash10-0006-0259000000-3d7407f5678061e05aa0
Source of Spectrum J-58-4861-8
Synonyms 3-Methoxy-17-(phenylsulfanyl)estra-1(10),2,4-trien-16-one
Wiley ID 1366002