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Lawsonicin - triacetate
SpectraBase Compound ID 9KnqLx65yDP
InChI InChI=1S/C26H30O9/c1-15(27)32-10-6-7-18-8-9-19(11-22(18)30-4)26-21(14-33-16(2)28)20-12-25(34-17(3)29)24(31-5)13-23(20)35-26/h8-9,11-13,21,26H,6-7,10,14H2,1-5H3
InChIKey AHUVGFYUFQUMQU-UHFFFAOYSA-N
Mol Weight 486.52 g/mol
Molecular Formula C26H30O9
Exact Mass 486.188983 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9zapdg16tYh
Name Lawsonicin - triacetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H30O9
InChI InChI=1S/C26H30O9/c1-15(27)32-10-6-7-18-8-9-19(11-22(18)30-4)26-21(14-33-16(2)28)20-12-25(34-17(3)29)24(31-5)13-23(20)35-26/h8-9,11-13,21,26H,6-7,10,14H2,1-5H3
InChIKey AHUVGFYUFQUMQU-UHFFFAOYSA-N
Molecular Weight 486.517 g/mol
SMILES c12OC(C(c2cc(c(c1)OC)OC(=O)C)COC(=O)C)c1cc(OC)c(cc1)CCCOC(=O)C
SPLASH splash10-000i-0920600000-d8575d8e143c4544f8e5
Source of Spectrum H-86-2169-1
Synonyms 2,3-Dihydro-5-(acetoxy)-3-(acetoxymethyl)-2-[4'-(3''-acetoxypropyl)-3'-methoxyphenyl]-6-methoxy-1-benzofuran 3-(4-{5-(acetyloxy)-3-[(acetyloxy)methyl]-6-methoxy-2,3-dihydro-1-benzofuran-2-yl}-2-methoxyphenyl)propyl acetate
Wiley ID 1525506