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Longusone A

View entire compound with spectra: 2 NMR, and 1 MS (GC)

Longusone A
SpectraBase Compound ID CdQnhu92QKe
InChI InChI=1S/C27H24O6/c28-20-6-3-16(4-7-20)1-2-17-9-21(29)15-25(18-5-8-26(32)27(33)13-18)24(10-17)19-11-22(30)14-23(31)12-19/h1-9,11-14,24-25,28,30-33H,10,15H2/b2-1+/t24-,25-/m1/s1
InChIKey KNBZCYSSOZHKRK-XVMMVKICSA-N
Mol Weight 444.48 g/mol
Molecular Formula C27H24O6
Exact Mass 444.157288 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K4TcX6jIySv
Name Longusone A
Alternate Name(s) (5S,6S)-6-(3,4-dihydroxyphenyl)-5-(3,5-dihydroxyphenyl)-3-[(E)-2-(4-hydroxyphenyl)ethenyl]-1-cyclohept-2-enone (5S,6S)-6-(3,4-dihydroxyphenyl)-5-(3,5-dihydroxyphenyl)-3-[(E)-2-(4-hydroxyphenyl)ethenyl]cyclohept-2-en-1-one (5S,6S)-6-[3,4-bis(oxidanyl)phenyl]-5-[3,5-bis(oxidanyl)phenyl]-3-[(E)-2-(4-hydroxyphenyl)ethenyl]cyclohept-2-en-1-one
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Formula C27H24O6
InChI InChI=1S/C27H24O6/c28-20-6-3-16(4-7-20)1-2-17-9-21(29)15-25(18-5-8-26(32)27(33)13-18)24(10-17)19-11-22(30)14-23(31)12-19/h1-9,11-14,24-25,28,30-33H,10,15H2/b2-1+/t24-,25-/m1/s1
InChIKey KNBZCYSSOZHKRK-XVMMVKICSA-N
Molecular Weight 444.483 g/mol
SMILES Oc1cc([C@@]2([C@](CC(\C=C\c3ccc(cc3)O)=CC(C2)=O)(c2cc(O)cc(c2)O)[H])[H])ccc1O
SPLASH splash10-006x-9401200000-0958817076146f27ac0c
Source of Spectrum E1-58-1384-1
Wiley ID 1661940