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Thunberginol E

View entire compound with spectra: 1 MS (GC)

Thunberginol E
SpectraBase Compound ID CI4Xfpvn5eA
InChI InChI=1S/C16H14O6/c1-21-13-3-2-8(5-11(13)18)14-6-9-4-10(17)7-12(19)15(9)16(20)22-14/h2-5,7,14,17-19H,6H2,1H3/t14-/m1/s1
InChIKey MZKMQBPFGDJUFV-CQSZACIVSA-N
Mol Weight 302.28 g/mol
Molecular Formula C16H14O6
Exact Mass 302.079038 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GxkgZmcnBKO
Name Thunberginol E
Alternate Name(s) (3R)-6,8-dihydroxy-3-(3-hydroxy-4-methoxyphenyl)-3,4-dihydro-1H-2-benzopyran-1-one (3R)-6,8-dihydroxy-3-(3-hydroxy-4-methoxyphenyl)-3,4-dihydroisochromen-1-one (3R)-3-(4-methoxy-3-oxidanyl-phenyl)-6,8-bis(oxidanyl)-3,4-dihydroisochromen-1-one
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Formula C16H14O6
InChI InChI=1S/C16H14O6/c1-21-13-3-2-8(5-11(13)18)14-6-9-4-10(17)7-12(19)15(9)16(20)22-14/h2-5,7,14,17-19H,6H2,1H3/t14-/m1/s1
InChIKey MZKMQBPFGDJUFV-CQSZACIVSA-N
Molecular Weight 302.282 g/mol
SMILES Oc1cc(cc2c1C(O[C@@](c1cc(c(cc1)OC)O)(C2)[H])=O)O
SPLASH splash10-0udi-0059000000-5c52222cbf4f52b83780
Source of Spectrum E1-44-1445-15
Wiley ID 1553477