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Beilschmieflavonoid A
SpectraBase Compound ID I0kzJpUP4S3
InChI InChI=1S/C36H38O9/c1-37-29-19-27-31(35(41-5)33(29)39-3)25(17-23(43-27)21-13-9-7-10-14-21)45-26-18-24(22-15-11-8-12-16-22)44-28-20-30(38-2)34(40-4)36(42-6)32(26)28/h7-16,19-20,23-26H,17-18H2,1-6H3/t23-,24-,25+,26+/m0/s1
InChIKey ATLLKSBDVDILGN-QEGGNFSNSA-N
Mol Weight 614.7 g/mol
Molecular Formula C36H38O9
Exact Mass 614.251583 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8a1OgPs010M
Name Beilschmieflavonoid A
Appearance Colorless crystal needles
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C36H38O9
InChI InChI=1S/C36H38O9/c1-37-29-19-27-31(35(41-5)33(29)39-3)25(17-23(43-27)21-13-9-7-10-14-21)45-26-18-24(22-15-11-8-12-16-22)44-28-20-30(38-2)34(40-4)36(42-6)32(26)28/h7-16,19-20,23-26H,17-18H2,1-6H3/t23-,24-,25+,26+/m0/s1
InChIKey ATLLKSBDVDILGN-QEGGNFSNSA-N
Ionization Type EI
Literature Reference DOI 10.1021/np900341f
Molecular Weight 614.691 g/mol
Optical Rotation [a]D20 = +30.4 (c = 0.3, CHCl3)
Reported Formula C36H38O9
SMILES c1(OC)c(OC)c(OC)c2[C@](O[C@@]3(C[C@@](c4ccccc4)(Oc4cc(OC)c(OC)c(OC)c34)[H])[H])(C[C@@](c3ccccc3)(Oc2c1)[H])[H]
SPLASH splash10-0002-1290001000-29e7af5b954d7e8b9cb0
Source of Spectrum G4-72-2133-3
Wiley ID 1872111