4H-1-Benzopyran-4-one, 2-[4-[(2-O-.beta.-D-glucopyranosyl-.beta.-D-glucopyranosyl)oxy]phenyl]-7-(.beta.-D-glucopyranosyloxy)-5-hydroxy-

SpectraBase Compound ID	EgsjrQMxkIv
InChI	InChI=1S/C33H40O20/c34-8-18-22(39)25(42)28(45)31(50-18)48-13-5-14(37)21-15(38)7-16(49-17(21)6-13)11-1-3-12(4-2-11)47-33-30(27(44)24(41)20(10-36)52-33)53-32-29(46)26(43)23(40)19(9-35)51-32/h1-7,18-20,22-37,39-46H,8-10H2/t18-,19-,20-,22-,23-,24-,25+,26+,27+,28-,29-,30-,31-,32+,33-/m1/s1
InChIKey	BPMMDLDVYYIFGW-IZQGJDFASA-N Google Search
Mol Weight	756.7 g/mol
Molecular Formula	C33H40O20
Exact Mass	756.211294 g/mol

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SpectraBase Spectrum ID	5ZZeL8MczeL
Name	4H-1-Benzopyran-4-one, 2-[4-[(2-O-.beta.-D-glucopyranosyl-.beta.-D-glucopyranosyl)oxy]phenyl]-7-(.beta.-D-glucopyranosyloxy)-5-hydroxy-
Alternate Name(s)	4-[7-(.beta.-D-glucopyranosyloxy)-5-hydroxy-4-oxo-4H-chromen-2-yl]phenyl 2-O-.beta.-D-glucopyranosyl-.beta.-D-glucopyranoside Luteolin-7-O-neohesperidoside-4'-O-.beta.-D-glucopyranoside
CAS Registry Number	70404-46-5
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C33H40O20
InChI	InChI=1S/C33H40O20/c34-8-18-22(39)25(42)28(45)31(50-18)48-13-5-14(37)21-15(38)7-16(49-17(21)6-13)11-1-3-12(4-2-11)47-33-30(27(44)24(41)20(10-36)52-33)53-32-29(46)26(43)23(40)19(9-35)51-32/h1-7,18-20,22-37,39-46H,8-10H2/t18-,19-,20-,22-,23-,24-,25+,26+,27+,28-,29-,30-,31-,32+,33-/m1/s1
InChIKey	BPMMDLDVYYIFGW-IZQGJDFASA-N
Molecular Weight	756.663 g/mol
SMILES	O[C@]1([C@@]([C@](O[C@]([C@@]1(O[C@]1([C@@]([C@]([C@@]([C@](O1)(CO)[H])(O)[H])(O)[H])(O)[H])[H])[H])(Oc1ccc(C2=CC(=O)c3c(O2)cc(O[C@]2([C@@]([C@@](O)([C@@]([C@](O2)(CO)[H])(O)[H])[H])(O)[H])[H])cc3O)cc1)[H])(CO)[H])(O)[H])[H]
SPLASH	splash10-01p9-0913000000-e799915b3155a97bb5f0
Source of Spectrum	SB-33-123-5
Wiley ID	1416444