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Boehmenan
SpectraBase Compound ID DWnNxKmtqNL
InChI InChI=1S/C40H40O12/c1-46-33-19-24(7-12-30(33)41)9-15-37(44)50-17-5-6-26-18-28-29(23-51-38(45)16-10-25-8-13-31(42)34(20-25)47-2)39(52-40(28)36(21-26)49-4)27-11-14-32(43)35(22-27)48-3/h7-16,18-22,29,39,41-43H,5-6,17,23H2,1-4H3/b15-9+,16-10+/t29-,39+/m1/s1
InChIKey OVFZHMPISOASDF-CIQYAKOOSA-N
Mol Weight 712.7 g/mol
Molecular Formula C40H40O12
Exact Mass 712.251977 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BgIeKDpi5T7
Name Boehmenan
Alternate Name(s) (E)-3-(4-hydroxy-3-methoxy-phenyl)acrylic acid 3-[(2R,3S)-2-(4-hydroxy-3-methoxy-phenyl)-3-[[(E)-3-(4-hydroxy-3-methoxy-phenyl)acryloyl]oxymethyl]-7-methoxy-coumaran-5-yl]propyl ester (E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoic acid 3-[(2R,3S)-2-(4-hydroxy-3-methoxyphenyl)-3-[[(E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxoprop-2-enoxy]methyl]-7-methoxy-2,3-dihydrobenzofuran-5-yl]propyl ester 3-[(2R,3S)-2-(4-hydroxy-3-methoxy-phenyl)-3-[[(E)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoyl]oxymethyl]-7-methoxy-2,3-dihydrobenzofuran-5-yl]propyl (E)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoate 3-[(2R,3S)-2-(4-hydroxy-3-methoxyphenyl)-3-[[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxymethyl]-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]propyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate 3-[(2R,3S)-7-methoxy-2-(3-methoxy-4-oxidanyl-phenyl)-3-[[(E)-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enoyl]oxymethyl]-2,3-dihydro-1-benzofuran-5-yl]propyl (E)-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enoate
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Formula C40H40O12
InChI InChI=1S/C40H40O12/c1-46-33-19-24(7-12-30(33)41)9-15-37(44)50-17-5-6-26-18-28-29(23-51-38(45)16-10-25-8-13-31(42)34(20-25)47-2)39(52-40(28)36(21-26)49-4)27-11-14-32(43)35(22-27)48-3/h7-16,18-22,29,39,41-43H,5-6,17,23H2,1-4H3/b15-9+,16-10+/t29-,39+/m1/s1
InChIKey OVFZHMPISOASDF-CIQYAKOOSA-N
Molecular Weight 712.748 g/mol
SMILES Oc1c(cc(\C=C\C(OC[C@@]2(c3c(c(cc(CCCOC(\C=C\c4ccc(c(c4)OC)O)=O)c3)OC)O[C@]2(c2cc(OC)c(cc2)O)[H])[H])=O)cc1)OC
SPLASH splash10-016u-2902060000-4510e8499cffc21dcedd
Source of Spectrum F-51-12455-5
Wiley ID 794264