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Cyclomulberrin
SpectraBase Compound ID Ib7b7921Hpq
InChI InChI=1S/C25H24O6/c1-12(2)5-7-15-17(27)11-18(28)21-23(29)22-20(9-13(3)4)30-19-10-14(26)6-8-16(19)25(22)31-24(15)21/h5-6,8-11,20,26-28H,7H2,1-4H3
InChIKey SYFDWXWLRGHYAJ-UHFFFAOYSA-N
Mol Weight 420.46 g/mol
Molecular Formula C25H24O6
Exact Mass 420.157288 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9NsFT1PxExB
Name Cyclomulberrin
Comments Less than 3 mono-isotopic peaks
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Formula C25H24O6
InChI InChI=1S/C25H24O6/c1-12(2)5-7-15-17(27)11-18(28)21-23(29)22-20(9-13(3)4)30-19-10-14(26)6-8-16(19)25(22)31-24(15)21/h5-6,8-11,20,26-28H,7H2,1-4H3
InChIKey SYFDWXWLRGHYAJ-UHFFFAOYSA-N
Molecular Weight 420.461 g/mol
SMILES Oc1c(c2OC3=C(C(c2c(c1)O)=O)C(Oc1cc(ccc31)O)C=C(C)C)CC=C(C)C
SPLASH splash10-0ab9-0000900000-22f3d1bfeb3f81e58786
Source of Spectrum X2-56-1597-4
Synonyms 3,8,10-trihydroxy-11-(3-methylbut-2-enyl)-6-(2-methylprop-1-enyl)-6H-[1]benzopyrano[4,3-b][1]benzopyran-7-one 11-(3-methylbut-2-enyl)-6-(2-methylprop-1-enyl)-3,8,10-tris(oxidanyl)-6H-chromeno[4,3-b]chromen-7-one
Wiley ID 1605076