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4'-methoxy-3',5,7-flavantriol, triacetate
SpectraBase Compound ID 2gVRGBkbxB4
InChI InChI=1S/C22H22O8/c1-12(23)27-16-10-20(28-13(2)24)17-6-8-18(30-21(17)11-16)15-5-7-19(26-4)22(9-15)29-14(3)25/h5,7,9-11,18H,6,8H2,1-4H3
InChIKey HIRCPCXERKLDED-UHFFFAOYSA-N
Mol Weight 414.41 g/mol
Molecular Formula C22H22O8
Exact Mass 414.131468 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID D1YC0MxECD1
Name 4'-METHOXY-3',5,7-FLAVANTRIOL, TRIACETATE
Source of Sample J. G. SWEENY, THE COCA-COLA COMPANY, ATLANTA, GEORGIA
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H22O8
InChI InChI=1S/C22H22O8/c1-12(23)27-16-10-20(28-13(2)24)17-6-8-18(30-21(17)11-16)15-5-7-19(26-4)22(9-15)29-14(3)25/h5,7,9-11,18H,6,8H2,1-4H3
InChIKey HIRCPCXERKLDED-UHFFFAOYSA-N
Literature Reference TETRAHEDRON 33, 2927(1977) Abstract-Chemical Abstracts= 88, 169896(1978)
Melting Point 106-107C
Molecular Weight 414.410004
Synonyms FLAVANTRIOL, 3*,5,7-, 4*-METHOXY-, TRIACETATE
Technique FILM (CAST FROM CHCl3)