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3-Thiophenecarboxylic acid, 5-[(2,5-dimethyl-3-thienyl)[3-hydroxy-4-(methoxycarbonyl)-5-methyl-2-thienyl]methyl]-4-hydroxy-2-methyl-, methyl ester
SpectraBase Compound ID 9OGpP14OWiR
InChI InChI=1S/C21H22O6S3/c1-8-7-12(9(2)28-8)15(18-16(22)13(10(3)29-18)20(24)26-5)19-17(23)14(11(4)30-19)21(25)27-6/h7,15,22-23H,1-6H3
InChIKey QKCSDBOTQZMEKQ-UHFFFAOYSA-N
Mol Weight 466.58 g/mol
Molecular Formula C21H22O6S3
Exact Mass 466.057852 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JkbYZHvlBiF
Name 3-Thiophenecarboxylic acid, 5-[(2,5-dimethyl-3-thienyl)[3-hydroxy-4-(methoxycarbonyl)-5-methyl-2-thienyl]methyl]-4-hydroxy-2-methyl-, methyl ester
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Formula C21H22O6S3
InChI InChI=1S/C21H22O6S3/c1-8-7-12(9(2)28-8)15(18-16(22)13(10(3)29-18)20(24)26-5)19-17(23)14(11(4)30-19)21(25)27-6/h7,15,22-23H,1-6H3
InChIKey QKCSDBOTQZMEKQ-UHFFFAOYSA-N
Molecular Weight 466.581 g/mol
SMILES Oc1c(c(sc1C(c1sc(c(c1O)C(=O)OC)C)c1cc(sc1C)C)C)C(=O)OC
SPLASH splash10-00kf-9780000000-17510e22a38f8b804368
Source of Spectrum IY-1-4701-5
Synonyms 5-[(2,5-dimethyl-3-thiophenyl)-(3-hydroxy-4-methoxycarbonyl-5-methyl-2-thiophenyl)methyl]-4-hydroxy-2-methyl-3-thiophenecarboxylic acid methyl ester Methyl 5-[(2,5-dimethylthiophen-3-yl)-(3-hydroxy-4-methoxycarbonyl-5-methylthiophen-2-yl)methyl]-4-hydroxy-2-methylthiophene-3-carboxylate Methyl 5-[(2,5-dimethyl-3-thienyl)-(3-hydroxy-4-methoxycarbonyl-5-methyl-2-thienyl)methyl]-4-hydroxy-2-methyl-thiophene-3-carboxylate Methyl 5-[(2,5-dimethylthiophen-3-yl)-(4-methoxycarbonyl-5-methyl-3-oxidanyl-thiophen-2-yl)methyl]-2-methyl-4-oxidanyl-thiophene-3-carboxylate
Wiley ID 1654998