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(4R,10R)-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

View entire compound with spectra: 1 MS (GC)

(4R,10R)-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
SpectraBase Compound ID 3OC8R6jdILt
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-WSYLFVJTSA-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 KVD4JfzYA8r
Name (4R,10R)-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
Alternate Name(s) (1R,8aR)-1,8a-dimethyl-7-(1-methylethylidene)-6-oxo-1,2,3,4,6,7,8,8a-octahydro-2-naphthalenyl (2E)-3-(methylsulfinyl)-2-propenoate 4,10-Dimethyl-6-(1'-methylethylidene)-3(Z)-{[2''-(methylthio)ethenyl]carbonyloxy}-1,2,3,4,5,6,7,10-octahydronaphthalen-7-one-S-Oxide Petasone B
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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-WSYLFVJTSA-N
Molecular Weight 350.473 g/mol
SMILES [C@@]12(C(=CC(C(C2)=C(C)C)=O)CCC([C@@]1(C)[H])OC(\C=C\S(=O)C)=O)C
SPLASH splash10-03xr-2941000000-cc08b0d65acacc3882e1
Source of Spectrum G4-61-889-2
Wiley ID 1607351