2-[3,4-bis(2-hydroxyethoxy)phenyl]-5-hydroxy-7-(2-hydroxyethoxy)-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-4H-chromen-4-one



Compound number:
MolPort-003-939-710
CAS number: 7085-55-4
IUPAC:
2-[3,4-bis(2-hydroxyethoxy)phenyl]-5-hydroxy-7-(2-hydroxyethoxy)-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-4H-chromen-4-one
IUPAC traditional:
ruven
SMILES:
C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(oc4cc(OCCO)cc(O)c4c3=O)-c3ccc(OCCO)c(OCCO)c3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O
InChI key:
IYVFNTXFRYQLRP-VVSTWUKXSA-N
Molecular formula:
C33H42O19
Molecular weight: 742.68
Solubility: not available

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More Information

Compound Identifiers
Compound number: MolPort-003-939-710
CAS number: 7085-55-4

Names, Synonyms and 3rd Party Identifiers
Name: ZINC000085552699
MFCD00893813
2-[3,4-bis(2-hydroxyethoxy)phenyl]-3-[[6-O-(6-deoxy-?-L-mannopyranosyl)-?-D-glucopyranosyl]oxy]-5-hydroxy-7-(2-hydroxyethoxy)-4H-1-benzopyran-4-one
2-[3,4-bis(2-hydroxyethoxy)phenyl]-5-hydroxy-7-(2-hydroxyethoxy)-3-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxymethyl]-2-oxanyl]oxy]-1-benzopyran-4-one 2-[3,4-bis(2-hydroxyethyloxy)phenyl]-7-(2-hydroxyethyloxy)-3-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5R,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5-oxidanyl-chromen-4-one
Trihydroxyethylrutin
Trihydroxyethylrutin, Troxerutin
Trihydroxyethylrutin, Troxerutin (INN)
troxerutin
Troxerutin (85%)

InChI
InChI: 1S/C33H42O19/c1-14-23(38)26(41)28(43)32(49-14)48-13-21-24(39)27(42)29(44)33(51-21)52-31-25(40)22-17(37)11-16(45-7-4-34)12-20(22)50-30(31)15-2-3-18(46-8-5-35)19(10-15)47-9-6-36/h2-3,10-12,14,21,23-24,26-29,32-39,41-44H,4-9,13H2,1H3/t14-,21+,23-,24+,26+,27-,28+,29+,32+,33-/m0/s1
InChI key: IYVFNTXFRYQLRP-VVSTWUKXSA-N

Calculated Properties
Molecular formula: C33H42O19
Molecular weight: 742.68

Other

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