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Derrichalcone
SpectraBase Compound ID 8qUfzqZP5Ft
InChI InChI=1S/C26H28O7/c1-25(2)13-12-16-20(29)18(17(28)11-8-14-6-9-15(27)10-7-14)23-19(22(16)32-25)21(30)24(31-5)26(3,4)33-23/h6-13,21,24,27,29-30H,1-5H3/b11-8+/t21-,24?/m0/s1
InChIKey LJHGFVOYNHBEEI-JEPULSAOSA-N
Mol Weight 452.5 g/mol
Molecular Formula C26H28O7
Exact Mass 452.183503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1A3mqo0Jmy1
Name Derrichalcone
Alternate Name(s) (E)-1-[(10S)-5,10-dihydroxy-9-methoxy-2,2,8,8-tetramethyl-9,10-dihydropyrano[2,3-f][1]benzopyran-6-yl]-3-(4-hydroxyphenyl)-2-propen-1-one (E)-3-(4-hydroxyphenyl)-1-[(10S)-9-methoxy-2,2,8,8-tetramethyl-5,10-bis(oxidanyl)-9,10-dihydropyrano[2,3-f]chromen-6-yl]prop-2-en-1-one
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Formula C26H28O7
InChI InChI=1S/C26H28O7/c1-25(2)13-12-16-20(29)18(17(28)11-8-14-6-9-15(27)10-7-14)23-19(22(16)32-25)21(30)24(31-5)26(3,4)33-23/h6-13,21,24,27,29-30H,1-5H3/b11-8+/t21-,24?/m0/s1
InChIKey LJHGFVOYNHBEEI-JEPULSAOSA-N
Molecular Weight 452.503 g/mol
SMILES Oc1ccc(\C=C\C(c2c3c([C@@](C(C(O3)(C)C)OC)(O)[H])c3c(c2O)C=CC(O3)(C)C)=O)cc1
SPLASH splash10-052r-0292700000-370aee1da6f1d45685f2
Source of Spectrum E1-40-2297-5
Wiley ID 1519682