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(10aS)-2-Methoxy-5-oxo-8-(phenylthio)-3,7,7,10a-tetramethyl-5,6,6a,7,8,9,10,10a-octahydro-phenanthrene
SpectraBase Compound ID Ar6SwXE2kOf
InChI InChI=1S/C25H30O2S/c1-16-13-18-19(14-21(16)27-5)25(4)12-11-23(28-17-9-7-6-8-10-17)24(2,3)22(25)15-20(18)26/h6-10,13-14,22-23H,11-12,15H2,1-5H3/t22?,23?,25-/m1/s1
InChIKey NRUUQXZCVWKZOB-OOEPIQFGSA-N
Mol Weight 394.57 g/mol
Molecular Formula C25H30O2S
Exact Mass 394.196651 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HldS5rDpsZ2
Name (10aS)-2-Methoxy-5-oxo-8-(phenylthio)-3,7,7,10a-tetramethyl-5,6,6a,7,8,9,10,10a-octahydro-phenanthrene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H30O2S
InChI InChI=1S/C25H30O2S/c1-16-13-18-19(14-21(16)27-5)25(4)12-11-23(28-17-9-7-6-8-10-17)24(2,3)22(25)15-20(18)26/h6-10,13-14,22-23H,11-12,15H2,1-5H3/t22?,23?,25-/m1/s1
InChIKey NRUUQXZCVWKZOB-OOEPIQFGSA-N
Molecular Weight 394.573 g/mol
SMILES [C@]12(c3c(cc(c(c3)OC)C)C(CC1C(C)(C)C(CC2)Sc1ccccc1)=O)C
SPLASH splash10-014u-0393000000-a939bf58a0758f714102
Source of Spectrum X2-56-1933-10
Synonyms 12-Methoxy-13-methyl-3-(phenylsulfanyl)podocarpa-8,11,13-trien-7-one 2-Methoxy-5-oxo-8-(phenylthio)-3,7,7,10a-tetramethyl-(octahydro)-phenanthrene
Wiley ID 1605203