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(Z)-3-Methanesulfinyl-acrylic acid (1R,8aR)-7-isopropylidene-1,8a-dimethyl-6-oxo-1,2,3,4,6,7,8,8a-octahydro-naphthalen-2-yl ester

View entire compound with spectra: 1 MS (GC)

(Z)-3-Methanesulfinyl-acrylic acid (1R,8aR)-7-isopropylidene-1,8a-dimethyl-6-oxo-1,2,3,4,6,7,8,8a-octahydro-naphthalen-2-yl ester
SpectraBase Compound ID 53IENEyEu7h
InChI InChI=1S/C19H26O4S/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/h8-10,13,17H,6-7,11H2,1-5H3/b9-8-/t13-,17+,19+,24?/m0/s1
InChIKey GJJOCUQOAXECJY-IPVJBCHYSA-N
Mol Weight 350.47 g/mol
Molecular Formula C19H26O4S
Exact Mass 350.15518 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FDMjISACKRT
Name (Z)-3-Methanesulfinyl-acrylic acid (1R,8aR)-7-isopropylidene-1,8a-dimethyl-6-oxo-1,2,3,4,6,7,8,8a-octahydro-naphthalen-2-yl ester
Alternate Name(s) (1R,2R,8aR)-1,8a-dimethyl-7-(1-methylethylidene)-6-oxo-1,2,3,4,6,7,8,8a-octahydro-2-naphthalenyl (2Z)-3-(methylsulfinyl)-2-propenoate (Z)-3-methylsulfinyl-2-propenoic acid[(1R,2R,8aR)-1,8a-dimethyl-6-oxo-7-propan-2-ylidene-2,3,4,8-tetrahydro-1H-naphthalen-2-yl]ester (Z)-3-methylsulfinylacrylic acid[(1R,2R,8aR)-7-isopropylidene-6-keto-1,8a-dimethyl-2,3,4,8-tetrahydro-1H-naphthalen-2-yl]ester 4,10-Dimethyl-6-(1'-methylethylidene)-3(E)-{[2''-(methylthio)ethenyl]carbonyloxy}-1,2,3,4,5,6,7,10-octahydronaphthalen-7-one-S-Oxide Petasone A [(1R,2R,8aR)-1,8a-dimethyl-6-oxidanylidene-7-propan-2-ylidene-2,3,4,8-tetrahydro-1H-naphthalen-2-yl](Z)-3-methylsulfinylprop-2-enoate [(1R,2R,8aR)-1,8a-dimethyl-6-oxo-7-propan-2-ylidene-2,3,4,8-tetrahydro-1H-naphthalen-2-yl](Z)-3-methylsulfinylprop-2-enoate [(1R,2R,8aR)-7-isopropylidene-1,8a-dimethyl-6-oxo-2,3,4,8-tetrahydro-1H-naphthalen-2-yl](Z)-3-methylsulfinylprop-2-enoate (Z)-3-methylsulfinyl-2-propenoic acid [(1R,2R,8aR)-1,8a-dimethyl-6-oxo-7-propan-2-ylidene-2,3,4,8-tetrahydro-1H-naphthalen-2-yl] ester [(1R,2R,8aR)-1,8a-dimethyl-6-oxo-7-propan-2-ylidene-2,3,4,8-tetrahydro-1H-naphthalen-2-yl] (Z)-3-methylsulfinylprop-2-enoate [(1R,2R,8aR)-7-isopropylidene-1,8a-dimethyl-6-oxo-2,3,4,8-tetrahydro-1H-naphthalen-2-yl] (Z)-3-methylsulfinylprop-2-enoate [(1R,2R,8aR)-1,8a-dimethyl-6-oxidanylidene-7-propan-2-ylidene-2,3,4,8-tetrahydro-1H-naphthalen-2-yl] (Z)-3-methylsulfinylprop-2-enoate
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Formula C19H26O4S
InChI InChI=1S/C19H26O4S/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/h8-10,13,17H,6-7,11H2,1-5H3/b9-8-/t13-,17+,19+,24?/m0/s1
InChIKey GJJOCUQOAXECJY-IPVJBCHYSA-N
Molecular Weight 350.473 g/mol
SMILES [C@@]12(C(=CC(C(C2)=C(C)C)=O)CC[C@]([C@@]1(C)[H])(OC(\C=C/S(=O)C)=O)[H])C
SPLASH splash10-0wmi-4590000000-c6b1700ea42ae0475cb8
Source of Spectrum G4-61-889-1
Wiley ID 1607352