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2(S)-5'-(1''',1'''-Dimethylallyl)-8-(3'',3''-dimethylallyl)- 2',4',5,7-tetrahydroxyflavanone
SpectraBase Compound ID FR0IWMYkYd9
InChI InChI=1S/C25H28O6/c1-6-25(4,5)16-9-15(18(27)10-19(16)28)22-12-21(30)23-20(29)11-17(26)14(24(23)31-22)8-7-13(2)3/h6-7,9-11,22,26-29H,1,8,12H2,2-5H3
InChIKey PCNCQAWYRGWMFH-UHFFFAOYSA-N
Mol Weight 424.49 g/mol
Molecular Formula C25H28O6
Exact Mass 424.188589 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8JTlGxxjvMY
Name 2(S)-5'-(1''',1'''-Dimethylallyl)-8-(3'',3''-dimethylallyl)- 2',4',5,7-tetrahydroxyflavanone
Appearance Yellow solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H28O6
InChI InChI=1S/C25H28O6/c1-6-25(4,5)16-9-15(18(27)10-19(16)28)22-12-21(30)23-20(29)11-17(26)14(24(23)31-22)8-7-13(2)3/h6-7,9-11,22,26-29H,1,8,12H2,2-5H3
InChIKey PCNCQAWYRGWMFH-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS-QP5000
Ionization Type EI
Literature Reference DOI 10.1021/np030409c
Molecular Weight 424.493 g/mol
Optical Rotation [a]D = -76.8 (c = 0.17, CHCl3)
SMILES Oc1cc(c2C(CC(c3c(cc(c(c3)C(C=C)(C)C)O)O)Oc2c1CC=C(C)C)=O)O
SPLASH splash10-066r-0927400000-65f2d1a030098353dd01
Source of Spectrum G4-67-483-2
Wiley ID 1881691