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D-3-methoxy-9(11)-secoestra-1,3,5(10),6,8-pentaen-11,17.beta.-dioic acid dimethyl ester
SpectraBase Compound ID 1ew5fgwJNtK
InChI InChI=1S/C22H26O5/c1-22(13-20(23)26-3)18(9-10-19(22)21(24)27-4)16-6-5-15-12-17(25-2)8-7-14(15)11-16/h5-8,11-12,18-19H,9-10,13H2,1-4H3/t18-,19+,22-/m0/s1
InChIKey ADUGLAIJCUNRHE-JQVVWYNYSA-N
Mol Weight 370.45 g/mol
Molecular Formula C22H26O5
Exact Mass 370.178024 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B1oCy9J0CiO
Name D-3-methoxy-9(11)-secoestra-1,3,5(10),6,8-pentaen-11,17.beta.-dioic acid dimethyl ester
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Formula C22H26O5
InChI InChI=1S/C22H26O5/c1-22(13-20(23)26-3)18(9-10-19(22)21(24)27-4)16-6-5-15-12-17(25-2)8-7-14(15)11-16/h5-8,11-12,18-19H,9-10,13H2,1-4H3/t18-,19+,22-/m0/s1
InChIKey ADUGLAIJCUNRHE-JQVVWYNYSA-N
Molecular Weight 370.445 g/mol
SMILES [C@]1([C@](c2cc3ccc(cc3cc2)OC)(CC[C@@]1(C(=O)OC)[H])[H])(CC(=O)OC)C
SPLASH splash10-00dj-0659000000-a557e902aca69c9e925f
Source of Spectrum F-32-84-2
Synonyms Methyl (1S,2S,3R)-3-(6-methoxy-2-naphthyl)-2-(2-methoxy-2-oxoethyl)-2-methylcyclopentanecarboxylate
Wiley ID 1354452