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2-[(1R,2R)-2-[(E)-4-[(1R,2R)-2-(2-methoxy-2-oxoethyl)-5-oxocyclopentyl]but-2-enyl]-3-oxocyclopentyl]acetic acid methyl ester
SpectraBase Compound ID ASckKLVLxn4
InChI InChI=1S/C20H28O6/c1-25-19(23)11-13-7-9-17(21)15(13)5-3-4-6-16-14(8-10-18(16)22)12-20(24)26-2/h3-4,13-16H,5-12H2,1-2H3/b4-3+/t13-,14-,15-,16-/m1/s1
InChIKey CQBJFAATTWOWMO-VVAOZMCXSA-N
Mol Weight 364.44 g/mol
Molecular Formula C20H28O6
Exact Mass 364.188589 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2nd3aaGU4JT
Name 2-[(1R,2R)-2-[(E)-4-[(1R,2R)-2-(2-methoxy-2-oxoethyl)-5-oxocyclopentyl]but-2-enyl]-3-oxocyclopentyl]acetic acid methyl ester
Alternate Name(s) 2-[(1R,2R)-3-keto-2-[(E)-4-[(1R,5R)-2-keto-5-(2-keto-2-methoxy-ethyl)cyclopentyl]but-2-enyl]cyclopentyl]acetic acid methyl ester Methyl 2-[(1R,2R)-2-[(E)-4-[(1R,2R)-2-(2-methoxy-2-oxidanylidene-ethyl)-5-oxidanylidene-cyclopentyl]but-2-enyl]-3-oxidanylidene-cyclopentyl]ethanoate Methyl 2-[(1R,2R)-2-[(E)-4-[(1R,2R)-2-(2-methoxy-2-oxo-ethyl)-5-oxo-cyclopentyl]but-2-enyl]-3-oxo-cyclopentyl]acetate
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Formula C20H28O6
InChI InChI=1S/C20H28O6/c1-25-19(23)11-13-7-9-17(21)15(13)5-3-4-6-16-14(8-10-18(16)22)12-20(24)26-2/h3-4,13-16H,5-12H2,1-2H3/b4-3+/t13-,14-,15-,16-/m1/s1
InChIKey CQBJFAATTWOWMO-VVAOZMCXSA-N
Molecular Weight 364.438 g/mol
SMILES [C@@]1([C@](C(=O)CC1)(C\C=C\C[C@@]1([C@@](CC(=O)OC)(CCC1=O)[H])[H])[H])(CC(=O)OC)[H]
SPLASH splash10-0a4i-7953000000-b6778f7a76b019cd4fa1
Source of Spectrum KC-0-3558-43
Wiley ID 823838