4',7-Di-O-(Hydroxyethyl)rutin

cas: 13190-91-5 — see every product listed under this CAS number, including other names

4',7-Di-O-(Hydroxyethyl)rutin (CAS 13190-91-5) is a chemical reagent available from Chemat. Available pack sizes: 25mg. Offered by: TRC.

brandTRC
catalog numberTRC-D414385-25MG
cas13190-91-5
size25mg
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properties

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Structural formula: {0} (CAS {1})

5-hydroxy-7-(2-hydroxyethoxy)-2-[3-hydroxy-4-(2-hydroxyethoxy)phenyl]-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one (CAS 13190-91-5) is a chemical compound with the molecular formula C31H38O18 and a molecular weight of 698.6 g/mol. IUPAC name: 5-hydroxy-7-(2-hydroxyethoxy)-2-[3-hydroxy-4-(2-hydroxyethoxy)phenyl]-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one. InChIKey: VJTPZRVCTXGNSH-MVXJRKCZSA-N.

Identity
Molecular formulaC31H38O18
Molecular weight698.6 g/mol
IUPAC name5-hydroxy-7-(2-hydroxyethoxy)-2-[3-hydroxy-4-(2-hydroxyethoxy)phenyl]-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one
InChIKeyVJTPZRVCTXGNSH-MVXJRKCZSA-N
SMILESC[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)OCCO)C5=CC(=C(C=C5)OCCO)O)O)O)O)O)O)O

Computed by PubChem (NCBI)

Synonyms: 4',7-Di-O-(hydroxyethyl)rutin, 4',7-Di-O-(beta-hydroxyethyl)rutoside, 4',7-Bis(beta-hydroxyethyl)rutoside, O-(beta-Hydroxyethyl)rutoside, (4', 7)-di-
Isomers (same molecular formula)
2-[3,4-bis(2-hydroxyethoxy)phenyl]-5,7-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one C31H38O18
5-hydroxy-7-(2-hydroxyethoxy)-2-[4-hydroxy-3-(2-hydroxyethoxy)phenyl]-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one C31H38O18
[(2S,3S,4R,5R)-2,5-bis(acetyloxymethyl)-2-[(2R,3R,4S,5R,6R)-3,4-diacetyloxy-6-(acetyloxymethyl)-5-hydroxyoxan-2-yl]oxy-4-hydroxyoxolan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate C31H38O18

Also listed as

Troxerutin Impurity 4 Chemat Brand CAS 13190-91-5