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(3R,4R,6S,7R,10R)-4,10-Dimethyl-6-(1'-methylethenyl)-3(E)-{[2"-(methylthio)ethenyl]carbonyloxy}-1,2,3,4,5,6,7,10-octahydronaphthalen-7-one-S-Oxide

View entire compound with spectra: 1 MS (GC)

(3R,4R,6S,7R,10R)-4,10-Dimethyl-6-(1'-methylethenyl)-3(E)-{[2"-(methylthio)ethenyl]carbonyloxy}-1,2,3,4,5,6,7,10-octahydronaphthalen-7-one-S-Oxide
SpectraBase Compound ID 2ALRJ9RBhja
InChI InChI=1S/C19H28O4S/c1-12(2)15-11-19(4)13(3)17(7-6-14(19)10-16(15)20)23-18(21)8-9-24(5)22/h8-10,13,15-17,20H,1,6-7,11H2,2-5H3/b9-8+/t13-,15-,16+,17+,19+,24?/m0/s1
InChIKey OVLGYAHWOSBKJJ-GIYVPBTGSA-N
Mol Weight 352.49 g/mol
Molecular Formula C19H28O4S
Exact Mass 352.170831 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LUqoAgEnJEd
Name (3R,4R,6S,7R,10R)-4,10-Dimethyl-6-(1'-methylethenyl)-3(E)-{[2"-(methylthio)ethenyl]carbonyloxy}-1,2,3,4,5,6,7,10-octahydronaphthalen-7-one-S-Oxide
Alternate Name(s) (1R,2R,6R,7S,8aR)-6-hydroxy-7-isopropenyl-1,8a-dimethyl-1,2,3,4,6,7,8,8a-octahydro-2-naphthalenyl (2E)-3-(methylsulfinyl)-2-propenoate (E)-3-methylsulfinyl-2-propenoic acid[(1R,2R,6R,7S,8aR)-6-hydroxy-1,8a-dimethyl-7-(1-methylethenyl)-2,3,4,6,7,8-hexahydro-1H-naphthalen-2-yl]ester (E)-3-methylsulfinylacrylic acid[(1R,2R,6R,7S,8aR)-6-hydroxy-7-isopropenyl-1,8a-dimethyl-2,3,4,6,7,8-hexahydro-1H-naphthalen-2-yl]ester 4,10-Dimethyl-6-(1'-methylethenyl)-3(E)-{[2''-(methylthio)ethenyl]carbonyloxy}-1,2,3,4,5,6,7,10-octahydronaphthalen-7-one-S-Oxide Petasinol [(1R,2R,6R,7S,8aR)-1,8a-dimethyl-6-oxidanyl-7-prop-1-en-2-yl-2,3,4,6,7,8-hexahydro-1H-naphthalen-2-yl](E)-3-methylsulfinylprop-2-enoate [(1R,2R,6R,7S,8aR)-6-hydroxy-1,8a-dimethyl-7-prop-1-en-2-yl-2,3,4,6,7,8-hexahydro-1H-naphthalen-2-yl](E)-3-methylsulfinylprop-2-enoate [(1R,2R,6R,7S,8aR)-6-hydroxy-7-isopropenyl-1,8a-dimethyl-2,3,4,6,7,8-hexahydro-1H-naphthalen-2-yl](E)-3-methylsulfinylprop-2-enoate (E)-3-methylsulfinyl-2-propenoic acid [(1R,2R,6R,7S,8aR)-6-hydroxy-1,8a-dimethyl-7-(1-methylethenyl)-2,3,4,6,7,8-hexahydro-1H-naphthalen-2-yl] ester [(1R,2R,6R,7S,8aR)-6-hydroxy-1,8a-dimethyl-7-prop-1-en-2-yl-2,3,4,6,7,8-hexahydro-1H-naphthalen-2-yl] (E)-3-methylsulfinylprop-2-enoate [(1R,2R,6R,7S,8aR)-6-hydroxy-7-isopropenyl-1,8a-dimethyl-2,3,4,6,7,8-hexahydro-1H-naphthalen-2-yl] (E)-3-methylsulfinylprop-2-enoate [(1R,2R,6R,7S,8aR)-1,8a-dimethyl-6-oxidanyl-7-prop-1-en-2-yl-2,3,4,6,7,8-hexahydro-1H-naphthalen-2-yl] (E)-3-methylsulfinylprop-2-enoate
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Formula C19H28O4S
InChI InChI=1S/C19H28O4S/c1-12(2)15-11-19(4)13(3)17(7-6-14(19)10-16(15)20)23-18(21)8-9-24(5)22/h8-10,13,15-17,20H,1,6-7,11H2,2-5H3/b9-8+/t13-,15-,16+,17+,19+,24?/m0/s1
InChIKey OVLGYAHWOSBKJJ-GIYVPBTGSA-N
Molecular Weight 352.489 g/mol
SMILES O[C@]1([C@@](C[C@]2(C(=C1)CC[C@]([C@@]2(C)[H])(OC(\C=C\S(=O)C)=O)[H])C)(C(=C)C)[H])[H]
SPLASH splash10-0udi-0950000000-ff3d3fa5bdbad5df684b
Source of Spectrum G4-61-889-4
Wiley ID 1607349