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(8S)-2-{[(Z)-3-(Methylsulfanyl)prop-2-enoyl]oxy}eremophil-7(11)-en-12,8-olide
SpectraBase Compound ID 2WIBsyyqh3g
InChI InChI=1S/C19H26O4S/c1-11-7-14(22-17(20)5-6-24-4)8-13-9-16-15(10-19(11,13)3)12(2)18(21)23-16/h5-6,11,13-14,16H,7-10H2,1-4H3/b6-5-/t11-,13+,14+,16-,19+/m0/s1
InChIKey HFJJFBMNBYVNKQ-CZUSZWISSA-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 54BbfeSW0kd
Name (8S)-2-{[(Z)-3-(Methylsulfanyl)prop-2-enoyl]oxy}eremophil-7(11)-en-12,8-olide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H26O4S
InChI InChI=1S/C19H26O4S/c1-11-7-14(22-17(20)5-6-24-4)8-13-9-16-15(10-19(11,13)3)12(2)18(21)23-16/h5-6,11,13-14,16H,7-10H2,1-4H3/b6-5-/t11-,13+,14+,16-,19+/m0/s1
InChIKey HFJJFBMNBYVNKQ-CZUSZWISSA-N
Literature Reference DOI 10.1002/hlca.200790014
Molecular Weight 350.473 g/mol
SMILES C1[C@@]2(OC(C(C)=C2C[C@]2([C@@]1(C[C@@](C[C@@]2(C)[H])(OC(\C=C/SC)=O)[H])[H])C)=O)[H]
SPLASH splash10-0uxr-4930000000-e4e0cb16867c123a12c9
Source of Spectrum H-90-193-10
Synonyms (4aR,5S,7R,8aR,9aS)-3,4a,5-trimethyl-2-oxo-2,4,4a,5,6,7,8,8a,9,9a-decahydronaphtho[2,3-b]furan-7-yl (Z)-3-(methylthio)acrylate
Wiley ID 1783813