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Dihydroxydehydrodiconifery alcohol triacetate
SpectraBase Compound ID BTbD9XWbZNd
InChI InChI=1S/C26H30O9/c1-15(27)32-10-6-7-18-11-20-21(14-33-16(2)28)25(35-26(20)24(12-18)31-5)19-8-9-22(34-17(3)29)23(13-19)30-4/h8-9,11-13,21,25H,6-7,10,14H2,1-5H3/t21-,25+/m0/s1
InChIKey GZYBRZKGRORIHQ-SQJMNOBHSA-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 13Rb8xKzErp
Name Dihydroxydehydrodiconifery alcohol triacetate
Alternate Name(s) Acetic acid 3-[(2S,3R)-2-(4-acetyloxy-3-methoxyphenyl)-3-(acetyloxymethyl)-7-methoxy-2,3-dihydrobenzofuran-5-yl]propyl ester 3-[(2S,3R)-2-(4-acetyloxy-3-methoxyphenyl)-3-(acetyloxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]propyl acetate 3-[(2S,3R)-2-(4-acetoxy-3-methoxy-phenyl)-3-(acetoxymethyl)-7-methoxy-2,3-dihydrobenzofuran-5-yl]propyl acetate 3-[(2S,3R)-2-(4-acetyloxy-3-methoxy-phenyl)-3-(acetyloxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]propyl ethanoate
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Formula C26H30O9
InChI InChI=1S/C26H30O9/c1-15(27)32-10-6-7-18-11-20-21(14-33-16(2)28)25(35-26(20)24(12-18)31-5)19-8-9-22(34-17(3)29)23(13-19)30-4/h8-9,11-13,21,25H,6-7,10,14H2,1-5H3/t21-,25+/m0/s1
InChIKey GZYBRZKGRORIHQ-SQJMNOBHSA-N
Molecular Weight 486.517 g/mol
SMILES c12c(O[C@@]([C@]2(COC(=O)C)[H])(c2cc(OC)c(cc2)OC(=O)C)[H])c(OC)cc(c1)CCCOC(=O)C
SPLASH splash10-001i-0019300000-1cf8f197e9593a68513b
Source of Spectrum QA-45-776-13
Wiley ID 862891