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DLWONXBMHBQJCM-PLNGDYQASA-N
SpectraBase Compound ID ENdfSGUTiV5
InChI InChI=1S/C28H22O4/c29-22-10-13-28-21(17-22)9-6-20-8-12-27(31)25(16-20)24-15-19(7-11-26(24)30)5-4-18-2-1-3-23(14-18)32-28/h1-5,7-8,10-17,29-31H,6,9H2/b5-4-
InChIKey DLWONXBMHBQJCM-PLNGDYQASA-N
Mol Weight 422.48 g/mol
Molecular Formula C28H22O4
Exact Mass 422.151809 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L9gXpaQpSt0
Name (Z)-19,20-Dihydro-2,6:9,13:14,18-trimethano-6H-1-benzoxacyclodecosin-12,15,22-triol (Isoplagiochin A)
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Formula C28H22O4
InChI InChI=1S/C28H22O4/c29-22-10-13-28-21(17-22)9-6-20-8-12-27(31)25(16-20)24-15-19(7-11-26(24)30)5-4-18-2-1-3-23(14-18)32-28/h1-5,7-8,10-17,29-31H,6,9H2/b5-4-
InChIKey DLWONXBMHBQJCM-PLNGDYQASA-N
Molecular Weight 422.480 g/mol
SMILES Oc1ccc2c(CCc3ccc(c(-c4c(ccc(\C=C/c5cc(O2)ccc5)c4)O)c3)O)c1
SPLASH splash10-0a4i-0900000000-c205b01e6deac928dda0
Source of Spectrum J-62-3670-1
Synonyms 14-oxapentacyclo[21.3.1.1(2,6).1(9,13).0(15,20)]nonacosa-1(27),2(29),3,5,7,9(28),10,12,15,17,19,23,25-tridecaene-3,18,26-triol
Wiley ID 1378791