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Ethyl (3a.alpha.,5a.beta.,9.alpha.,9a.alpha.,9b.alpha.)-1,2,3,3a,4,5,6,9,9a,9b-decahydro-8,9a-dimethyl-2,4,6-trioxo-1H-benz[e]inden-9-acetate - 2-(Propylene Thioaceta)-Derivative

View entire compound with spectra: 1 MS (GC)

Ethyl (3a.alpha.,5a.beta.,9.alpha.,9a.alpha.,9b.alpha.)-1,2,3,3a,4,5,6,9,9a,9b-decahydro-8,9a-dimethyl-2,4,6-trioxo-1H-benz[e]inden-9-acetate - 2-(Propylene Thioaceta)-Derivative
SpectraBase Compound ID Jc7SnC2R6CS
InChI InChI=1S/C22H30O4S2/c1-4-26-20(25)10-15-13(2)8-19(24)16-9-18(23)14-11-22(27-6-5-7-28-22)12-17(14)21(15,16)3/h8,14-17H,4-7,9-12H2,1-3H3/t14-,15+,16-,17+,21-/m0/s1
InChIKey RANFEWKJPUBBGB-HYZGJNHZSA-N
Mol Weight 422.6 g/mol
Molecular Formula C22H30O4S2
Exact Mass 422.158552 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5g20TiY0EzG
Name Ethyl (3a.alpha.,5a.beta.,9.alpha.,9a.alpha.,9b.alpha.)-1,2,3,3a,4,5,6,9,9a,9b-decahydro-8,9a-dimethyl-2,4,6-trioxo-1H-benz[e]inden-9-acetate - 2-(Propylene Thioaceta)-Derivative
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H30O4S2
InChI InChI=1S/C22H30O4S2/c1-4-26-20(25)10-15-13(2)8-19(24)16-9-18(23)14-11-22(27-6-5-7-28-22)12-17(14)21(15,16)3/h8,14-17H,4-7,9-12H2,1-3H3/t14-,15+,16-,17+,21-/m0/s1
InChIKey RANFEWKJPUBBGB-HYZGJNHZSA-N
Molecular Weight 422.598 g/mol
SMILES [C@@]12([C@](C(=O)C=C([C@]2(CC(=O)OCC)[H])C)(CC(=O)[C@@]2([C@]1(CC1(SCCCS1)C2)[H])[H])[H])C
SPLASH splash10-00fu-3920200000-419155cf674a5e6cbbe9
Source of Spectrum F5-3-3581-22
Synonyms Ethyl 2-((3aS,5aR,9R,9aS,9bR)-8,9a-dimethyl-4,6-dioxo-1,3,3a,4,5,5a,6,9,9a,9b-decahydrospiro[cyclopenta[a]naphthalene-2,2'-[1,3]dithian]-9-yl)acetate 2-[(3'aS,5'aR,9'R,9'aS,9'bR)-8',9'a-dimethyl-4',6'-dioxo-9'-spiro[1,3-dithiane-2,2'-3,3a,5,5a,9,9b-hexahydro-1H-cyclopenta[a]naphthalene]yl]acetic acid ethyl ester Ethyl 2-[(3'aS,5'aR,9'R,9'aS,9'bR)-8',9'a-dimethyl-4',6'-dioxospiro[1,3-dithiane-2,2'-3,3a,5,5a,9,9b-hexahydro-1H-cyclopenta[a]naphthalene]-9'-yl]acetate Ethyl 2-[(3'aS,5'aR,9'R,9'aS,9'bR)-8',9'a-dimethyl-4',6'-dioxo-spiro[1,3-dithiane-2,2'-3,3a,5,5a,9,9b-hexahydro-1H-cyclopenta[a]naphthalene]-9'-yl]acetate Ethyl 2-[(3'aS,5'aR,9'R,9'aS,9'bR)-8',9'a-dimethyl-4',6'-bis(oxidanylidene)spiro[1,3-dithiane-2,2'-3,3a,5,5a,9,9b-hexahydro-1H-cyclopenta[a]naphthalene]-9'-yl]ethanoate
Wiley ID 1732551