Products 163559-04-4

CAS 163559-04-4 appears in our catalog under these names: Protoapigenin 4′-O-β-D-glucoside, Protoapigenin 4'-O-β-D-glucoside, ≥95%, ≥95%. Offered by: MedChemExpress, Chemat. Available pack sizes: Get quote, 5mg.

Protoapigenin 4′-O-β-D-glucoside
MedChemExpress
  • size: Get quote
  • Variants: 1
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Protoapigenin 4'-O-β-D-glucoside, ≥95%, ≥95%
Chemat
  • size: 5mg
  • Variants: 1
from 4494.80
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Structural formula: {0} (CAS {1})

5,7-dihydroxy-2-[1-hydroxy-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexa-2,5-dien-1-yl]chromen-4-one (CAS 163559-04-4) is a chemical compound with the molecular formula C21H22O11 and a molecular weight of 450.4 g/mol. IUPAC name: 5,7-dihydroxy-2-[1-hydroxy-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexa-2,5-dien-1-yl]chromen-4-one. InChIKey: JSUSPSWATHLLME-XGYOFUELSA-N.

Identity
Molecular formulaC21H22O11
Molecular weight450.4 g/mol
IUPAC name5,7-dihydroxy-2-[1-hydroxy-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexa-2,5-dien-1-yl]chromen-4-one
InChIKeyJSUSPSWATHLLME-XGYOFUELSA-N
SMILESC1=CC(C=CC1O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)(C3=CC(=O)C4=C(C=C(C=C4O3)O)O)O

Computed by PubChem (NCBI)

Synonyms: Protoapigenin 4'-O-beta-D-glucoside, Protoapigenin 4'-O-|A-D-glucoside, Protoapigenin 4 inverted exclamation marka-O-|A-D-glucoside, orb1943399, Protoapigenin 4'-O-|?-D-glucoside
Isomers (same molecular formula)
(2S)-2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one C21H22O11
(2S,3S,4S,5R,6S)-6-[3,5-dihydroxy-2-[3-(4-hydroxyphenyl)propanoyl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid C21H22O11
(2R,3R)-5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one C21H22O11
(E)-3-(3,4-dihydroxyphenyl)-1-[2,3-dihydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-en-1-one C21H22O11
(2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,3-dihydrochromen-4-one C21H22O11
(E)-3-(4-hydroxyphenyl)-1-[3,4,6-trihydroxy-2-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-en-1-one C21H22O11
(2R,3S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,3-dihydrochromen-4-one C21H22O11
(2S)-2-(3,4-dihydroxyphenyl)-8-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one C21H22O11
(2S,3S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,3-dihydrochromen-4-one C21H22O11
(2S,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,3-dihydrochromen-4-one C21H22O11
(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-7-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,3-dihydrochromen-4-one C21H22O11
(2R,3R)-3,5-dihydroxy-2-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one C21H22O11

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