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(-)-PANNELLIN;METHYL-6,7,8,8A-TETRAHYDRO-8,8A-DIHYDROXY-9-METHOXY-5A-(4-METHOXYPHENYL)-6-PHENYL-5AH-CYClOPENTA-[4,5]-FURO-[2,3-F]-1,3-BENZODIOXAOL

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

(-)-PANNELLIN;METHYL-6,7,8,8A-TETRAHYDRO-8,8A-DIHYDROXY-9-METHOXY-5A-(4-METHOXYPHENYL)-6-PHENYL-5AH-CYClOPENTA-[4,5]-FURO-[2,3-F]-1,3-BENZODIOXAOL
SpectraBase Compound ID Jt36KzmEJnW
InChI InChI=1S/C28H26O9/c1-32-17-11-9-16(10-12-17)28-21(15-7-5-4-6-8-15)20(26(30)34-3)25(29)27(28,31)22-18(37-28)13-19-23(24(22)33-2)36-14-35-19/h4-13,20-21,25,29,31H,14H2,1-3H3/t20-,21-,25-,27+,28+/m1/s1
InChIKey WMHYJLIVXJIYCQ-IKLPSFCOSA-N
Mol Weight 506.51 g/mol
Molecular Formula C28H26O9
Exact Mass 506.157682 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Cf45AvzklcP
Name Panellin
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H26O9
InChI InChI=1S/C28H26O9/c1-32-17-11-9-16(10-12-17)28-21(15-7-5-4-6-8-15)20(26(30)34-3)25(29)27(28,31)22-18(37-28)13-19-23(24(22)33-2)36-14-35-19/h4-13,20-21,25,29,31H,14H2,1-3H3/t20-,21-,25-,27+,28+/m1/s1
InChIKey WMHYJLIVXJIYCQ-IKLPSFCOSA-N
Molecular Weight 506.507 g/mol
SMILES O[C@@]1([C@@]([C@]([C@]2([C@@]1(c1c(O2)cc2c(c1OC)OCO2)O)c1ccc(cc1)OC)(c1ccccc1)[H])(C(=O)OC)[H])[H]
SPLASH splash10-0a5c-9202000000-8b39d3c84a7cc7194853
Source of Spectrum G4-61-1489-15
Synonyms Methyl 6,7,8,8a-tetrahydro-8,8a-dihydroxy-9-methoxy-5a-(p-methoxyphenyl)-6-phenyl-5aH-cyclopenta[4,5]furo[2,3-f]-(1,3)-benzodioxole-7-barboxylate
Wiley ID 1607609