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.beta.-Resorcylic acid, 6-(hydroxymethyl)-3-methyl-, methyl ester, 6-(2,4-dihydroxy-6-methylisophthalaldehydate)
SpectraBase Compound ID 6ecoQwML2dY
InChI InChI=1S/C19H18O9/c1-8-4-13(22)11(6-20)17(24)14(8)19(26)28-7-10-5-12(21)9(2)16(23)15(10)18(25)27-3/h4-6,21-24H,7H2,1-3H3
InChIKey FHELLTXVIACUDU-UHFFFAOYSA-N
Mol Weight 390.34 g/mol
Molecular Formula C19H18O9
Exact Mass 390.095082 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BbYbzuV0U3J
Name .beta.-Resorcylic acid, 6-(hydroxymethyl)-3-methyl-, methyl ester, 6-(2,4-dihydroxy-6-methylisophthalaldehydate)
Alternate Name(s) Benzoic acid, 3-formyl-2,4-dihydroxy-6-methyl-, [3,5-dihydroxy-2-(methoxycarbonyl)-4-methylphenyl]methyl ester Isophthalaldehydic acid, 2,4-dihydroxy-6-methyl-, 6-ester with methyl 6-(hydroxymethyl)-3-methyl-.beta.-resorcylate 3,5-Dihydroxy-2-(methoxycarbonyl)-4-methylbenzyl 3-formyl-2,4-dihydroxy-6-methylbenzoate Methyl 6-[2,4-dihydroxy-3-formyl-6-methylbenzoyloxymethyl]-2,4-dihydroxy-3-methylbenzoate (methyl alctorialate) Methyl alectorialate
CAS Registry Number 28789-24-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H18O9
InChI InChI=1S/C19H18O9/c1-8-4-13(22)11(6-20)17(24)14(8)19(26)28-7-10-5-12(21)9(2)16(23)15(10)18(25)27-3/h4-6,21-24H,7H2,1-3H3
InChIKey FHELLTXVIACUDU-UHFFFAOYSA-N
Molecular Weight 390.344 g/mol
SMILES Oc1c(c(c(C(OCc2c(c(c(c(c2)O)C)O)C(=O)OC)=O)c(c1)C)O)C=O
SPLASH splash10-01ot-0900000000-3b447317f3cfa8cb00f4
Source of Spectrum B-40-1849-3
Wiley ID 1364657