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1,2-Dihydro-11.alpha.-hydroxy-.alpha.-santonin thioketal
SpectraBase Compound ID Ib1wtJ4BGKf
InChI InChI=1S/C17H24O3S2/c1-10-12-13-11(16(3,19)14(18)20-13)4-5-15(12,2)6-7-17(10)21-8-9-22-17/h11,13,19H,4-9H2,1-3H3/t11-,13+,15+,16?/m1/s1
InChIKey JRPVJPAOWLEWMA-UOWYSBCISA-N
Mol Weight 340.5 g/mol
Molecular Formula C17H24O3S2
Exact Mass 340.116687 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8r4xgwPArqx
Name 1,2-Dihydro-11.alpha.-hydroxy-.alpha.-santonin thioketal
Alternate Name(s) (2'S,5'R,6'R,9'S)-5'-hydroxy-5',9',13'-trimethyl-3'-oxaspiro[1,3-dithiolane-2,12'-tricyclo[7.4.0.0(2,6)]tridecan]-1'(13')-en-4'-one
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Formula C17H24O3S2
InChI InChI=1S/C17H24O3S2/c1-10-12-13-11(16(3,19)14(18)20-13)4-5-15(12,2)6-7-17(10)21-8-9-22-17/h11,13,19H,4-9H2,1-3H3/t11-,13+,15+,16?/m1/s1
InChIKey JRPVJPAOWLEWMA-UOWYSBCISA-N
Molecular Weight 340.496 g/mol
SMILES OC1([C@]2([C@@](C3=C(C4(SCCS4)CC[C@]3(C)CC2)C)(OC1=O)[H])[H])C
SPLASH splash10-0006-9036000000-e2fab48bc649cc5505b7
Source of Spectrum F-50-5445-6
Wiley ID 1335005