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Methyl 3-[(3aS)-(3a.alpha.,4.alpha.,7a.beta.)-1-[[(Trifluoromethyl)sulfonyl]oxy]-5,5-(1,2-ethylenedioxy)-7a-methylhexahydro-1H-inden-4-yl]propionate
SpectraBase Compound ID rYUwHHZndC
InChI InChI=1S/C17H23F3O7S/c1-15-7-8-16(25-9-10-26-16)12(4-6-14(21)24-2)11(15)3-5-13(15)27-28(22,23)17(18,19)20/h5,11-12H,3-4,6-10H2,1-2H3/t11-,12-,15-/m0/s1
InChIKey DNGPLDSTPSDTIK-HUBLWGQQSA-N
Mol Weight 428.42 g/mol
Molecular Formula C17H23F3O7S
Exact Mass 428.111659 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KMpMYEXdr1q
Name Methyl 3-[(3aS)-(3a.alpha.,4.alpha.,7a.beta.)-1-[[(Trifluoromethyl)sulfonyl]oxy]-5,5-(1,2-ethylenedioxy)-7a-methylhexahydro-1H-inden-4-yl]propionate
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Formula C17H23F3O7S
InChI InChI=1S/C17H23F3O7S/c1-15-7-8-16(25-9-10-26-16)12(4-6-14(21)24-2)11(15)3-5-13(15)27-28(22,23)17(18,19)20/h5,11-12H,3-4,6-10H2,1-2H3/t11-,12-,15-/m0/s1
InChIKey DNGPLDSTPSDTIK-HUBLWGQQSA-N
Molecular Weight 428.419 g/mol
SMILES C(S(OC=1[C@@]2([C@@]([C@](CCC(=O)OC)(C3(CC2)OCCO3)[H])([H])CC1)C)(=O)=O)(F)(F)F
SPLASH splash10-066r-9150000000-11c164414d40aa75d01f
Source of Spectrum E1-40-1122-20
Synonyms Methyl 3-[(3'aS,4'S,7'aS)-7'a-methyl-1'-[(trifluoromethane)sulfonyloxy]-3',3'a,4',6',7',7'a-hexahydrospiro[1,3-dioxolane-2,5'-indene]-4'-yl]propanoate Methyl 3-[(3aS)-(3a.alpha.,4.alpha.,7a.beta.)-1-[[(Trimethyl)sulfonyl]oxy]-5,5-(1,2-ethylenedioxy)-7a-methylhexahydro-1H-inden-4-yl]propionate 3-[(3'aS,4'S,7'aS)-7'a-methyl-1'-(trifluoromethylsulfonyloxy)-4'-spiro[1,3-dioxolane-2,5'-3a,4,6,7-tetrahydro-3H-indene]yl]propanoic acid methyl ester Methyl 3-[(3'aS,4'S,7'aS)-7'a-methyl-1'-(trifluoromethylsulfonyloxy)spiro[1,3-dioxolane-2,5'-3a,4,6,7-tetrahydro-3H-indene]-4'-yl]propanoate
Wiley ID 1599175