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4H-1-Benzopyran-4-one, 3-(acetyloxy)-2,3-dihydro-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl) -, (2R-trans)-
SpectraBase Compound ID 5grd3Rv4f1p
InChI InChI=1S/C18H16O8/c1-8(19)25-18-16(23)15-12(22)6-10(20)7-14(15)26-17(18)9-3-4-13(24-2)11(21)5-9/h3-7,17-18,20-22H,1-2H3/t17-,18+/m1/s1
InChIKey RDCGCASRUKHMQH-MSOLQXFVSA-N
Mol Weight 360.32 g/mol
Molecular Formula C18H16O8
Exact Mass 360.084517 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9VFlE29YauD
Name 4H-1-Benzopyran-4-one, 3-(acetyloxy)-2,3-dihydro-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl) -, (2R-trans)-
CAS Registry Number 63109-32-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H16O8
InChI InChI=1S/C18H16O8/c1-8(19)25-18-16(23)15-12(22)6-10(20)7-14(15)26-17(18)9-3-4-13(24-2)11(21)5-9/h3-7,17-18,20-22H,1-2H3/t17-,18+/m1/s1
InChIKey RDCGCASRUKHMQH-MSOLQXFVSA-N
Molecular Weight 360.318 g/mol
SMILES Oc1c2c(O[C@](c3cc(c(cc3)OC)O)([C@](C2=O)(OC(=O)C)[H])[H])cc(c1)O
SPLASH splash10-014i-0709000000-dddf773863be07d1e69a
Source of Spectrum K-110-1334-0
Synonyms (2R,3R)-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-3,4-dihydro-2H-chromen-3-yl acetate 3-Acetoxyhesperitin Acetic acid [(2R,3R)-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-3-yl] ester [(2R,3R)-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl] acetate [(2R,3R)-5,7-dihydroxy-2-(3-hydroxy-4-methoxy-phenyl)-4-oxo-chroman-3-yl] acetate [(2R,3R)-2-(4-methoxy-3-oxidanyl-phenyl)-5,7-bis(oxidanyl)-4-oxidanylidene-2,3-dihydrochromen-3-yl] ethanoate
Wiley ID 1348179