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1-[4',5'-Methylenedioxy-3'-methoxyphenyl]propan-1,2-diyl Diangelate
SpectraBase Compound ID 4LpPBfsyWoZ
InChI InChI=1S/C21H26O7/c1-12(5-6-13(2)20(22)23)16(8-7-14(3)21(24)25)15-9-17(26-4)19-18(10-15)27-11-28-19/h6-7,9-10,12,16H,5,8,11H2,1-4H3,(H,22,23)(H,24,25)/b13-6-,14-7-
InChIKey WVIVBFRJAJIRHS-POIBIGJCSA-N
Mol Weight 390.43 g/mol
Molecular Formula C21H26O7
Exact Mass 390.167853 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2YvRXOuaEi
Name 1-[4',5'-Methylenedioxy-3'-methoxyphenyl]propan-1,2-diyl Diangelate
Alternate Name(s) (2Z,8Z)-5-(7-methoxy-1,3-benzodioxol-5-yl)-2,6,9-trimethyl-2,8-decadienedioic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H26O7
InChI InChI=1S/C21H26O7/c1-12(5-6-13(2)20(22)23)16(8-7-14(3)21(24)25)15-9-17(26-4)19-18(10-15)27-11-28-19/h6-7,9-10,12,16H,5,8,11H2,1-4H3,(H,22,23)(H,24,25)/b13-6-,14-7-
InChIKey WVIVBFRJAJIRHS-POIBIGJCSA-N
Molecular Weight 390.432 g/mol
SMILES OC(\C(=C/CC(C(C\C=C/(C(=O)O)C)C)c1cc2OCOc2c(c1)OC)C)=O
SPLASH splash10-01vo-9100000000-34a04d3920208b6c2dc2
Source of Spectrum Y4-79-449-0
Wiley ID 1513209