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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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J82pqtZ3imi
Name 2H-1-Benzopyran-5,7-diol, 2-[3-(acetyloxy)-4-methoxyphenyl]-3,4-dihydro-, diacetate
Alternate Name(s) 4'-Methoxy-3',5,7-triacetoxyflavan 5-(acetyloxy)-2-[3-(acetyloxy)-4-methoxyphenyl]-3,4-dihydro-2H-chromen-7-yl acetate Acetic acid[5-acetoxy-2-(3-acetoxy-4-methoxy-phenyl)chroman-7-yl]ester Acetic acid[5-acetyloxy-2-(3-acetyloxy-4-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-7-yl]ester [5-acetoxy-2-(3-acetoxy-4-methoxy-phenyl)chroman-7-yl]acetate [5-acetyloxy-2-(3-acetyloxy-4-methoxy-phenyl)-3,4-dihydro-2H-chromen-7-yl]ethanoate Acetic acid [5-acetyloxy-2-(3-acetyloxy-4-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-7-yl] ester [5-acetyloxy-2-(3-acetyloxy-4-methoxyphenyl)-3,4-dihydro-2H-chromen-7-yl] acetate [5-acetoxy-2-(3-acetoxy-4-methoxy-phenyl)chroman-7-yl] acetate [5-acetyloxy-2-(3-acetyloxy-4-methoxy-phenyl)-3,4-dihydro-2H-chromen-7-yl] ethanoate
CAS Registry Number 64670-93-5
Copyright Copyright © 2020-2024 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
Molecular Weight 414.410 g/mol
SMILES c12c(c(OC(=O)C)cc(c2)OC(=O)C)CCC(O1)c1cc(OC(=O)C)c(cc1)OC
SPLASH splash10-0fki-4769400000-7ea45587db071fb5feda
Source of Spectrum F-33-2931-0
Wiley ID 1375325