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[2S-(1E,2.alpha.,3.alpha.,5.alpha.)]-[3-(acetyloxy)-2-[[(2,2,2-trichloroethoxy)carbonyl]oxy]-5-hydroxy-2-methylcyclohexylidene]-acetic acid ethyl ester

View entire compound with spectra: 1 MS (GC)

[2S-(1E,2.alpha.,3.alpha.,5.alpha.)]-[3-(acetyloxy)-2-[[(2,2,2-trichloroethoxy)carbonyl]oxy]-5-hydroxy-2-methylcyclohexylidene]-acetic acid ethyl ester
SpectraBase Compound ID 8AvhsHBzoR0
InChI InChI=1S/C16H21Cl3O8/c1-4-24-13(22)6-10-5-11(21)7-12(26-9(2)20)15(10,3)27-14(23)25-8-16(17,18)19/h6,11-12,21H,4-5,7-8H2,1-3H3/b10-6+/t11-,12-,15+/m1/s1
InChIKey WKJVNMMXVJTCMG-IHNYSWAOSA-N
Mol Weight 447.7 g/mol
Molecular Formula C16H21Cl3O8
Exact Mass 446.030201 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CCIycS5vMPD
Name [2S-(1E,2.alpha.,3.alpha.,5.alpha.)]-[3-(acetyloxy)-2-[[(2,2,2-trichloroethoxy)carbonyl]oxy]-5-hydroxy-2-methylcyclohexylidene]-acetic acid ethyl ester
Alternate Name(s) Ethyl (2E)-((2S,3R,5R)-3-(acetyloxy)-5-hydroxy-2-methyl-2-{[(2,2,2-trichloroethoxy)carbonyl]oxy}cyclohexylidene)ethanoate
CAS Registry Number 123836-55-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H21Cl3O8
InChI InChI=1S/C16H21Cl3O8/c1-4-24-13(22)6-10-5-11(21)7-12(26-9(2)20)15(10,3)27-14(23)25-8-16(17,18)19/h6,11-12,21H,4-5,7-8H2,1-3H3/b10-6+/t11-,12-,15+/m1/s1
InChIKey WKJVNMMXVJTCMG-IHNYSWAOSA-N
Molecular Weight 447.695 g/mol
SMILES O[C@]1(C[C@]([C@](\C(=C\C(=O)OCC)C1)(OC(=O)OCC(Cl)(Cl)Cl)C)(OC(=O)C)[H])[H]
SPLASH splash10-0006-9003000000-ed44e8527f0c9ec7ead1
Source of Spectrum J-55-245-6
Wiley ID 1386455