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Fissistin
SpectraBase Compound ID 6ZUTCbquvFZ
InChI InChI=1S/C28H34O6/c1-17(2)10-9-11-18-14-15-20(21(16-18)19-12-7-6-8-13-19)23(29)22-24(30)27(33-4)28(34-5)25(31)26(22)32-3/h6-8,10,12-14,20-21,30-31H,9,11,15-16H2,1-5H3/t20-,21+/m1/s1
InChIKey SVEQTWAMENTLBK-RTWAWAEBSA-N
Mol Weight 466.6 g/mol
Molecular Formula C28H34O6
Exact Mass 466.235539 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2NzcMekKMC
Name Fissistin
Alternate Name(s) (2,5-dihydroxy-3,4,6-trimethoxyphenyl)-[(1R,6R)-4-(4-methylpent-3-enyl)-6-phenyl-1-cyclohex-3-enyl]methanone (2,5-dihydroxy-3,4,6-trimethoxyphenyl)-[(1R,6R)-4-(4-methylpent-3-enyl)-6-phenylcyclohex-3-en-1-yl]methanone [(1R,6R)-4-(4-methylpent-3-enyl)-6-phenyl-cyclohex-3-en-1-yl]-[2,4,5-trimethoxy-3,6-bis(oxidanyl)phenyl]methanone
Comments Less than 3 mono-isotopic peaks
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Formula C28H34O6
InChI InChI=1S/C28H34O6/c1-17(2)10-9-11-18-14-15-20(21(16-18)19-12-7-6-8-13-19)23(29)22-24(30)27(33-4)28(34-5)25(31)26(22)32-3/h6-8,10,12-14,20-21,30-31H,9,11,15-16H2,1-5H3/t20-,21+/m1/s1
InChIKey SVEQTWAMENTLBK-RTWAWAEBSA-N
Molecular Weight 466.574 g/mol
SMILES Oc1c(c(c(c(c1OC)OC)O)C([C@]1([C@@](CC(=CC1)CCC=C(C)C)(c1ccccc1)[H])[H])=O)OC
SPLASH splash10-016r-0070900000-1376dce451c4795c8393
Source of Spectrum G4-58-1165-2
Wiley ID 1605959