Troxerutin

CAS Registry Number®

7085-55-4
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CAS Name

Troxerutin

Molecular Formula

C33H42O19

Molecular Mass

742.68

Cite this Page

Troxerutin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=7085-55-4 (retrieved 2024-04-25) (CAS RN: 7085-55-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    181 °C

Source(s)

  • (1) Drugs - Synonyms and Properties data were obtained from Ashgate Publishing Co. (US)

Other Names and Identifiers

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

InChIKey

InChIKey=IYVFNTXFRYQLRP-VVSTWUKXSA-N

SMILES

O(C1=C(OC=2C(C1=O)=C(O)C=C(OCCO)C2)C3=CC(OCCO)=C(OCCO)C=C3)[C@@H]4O[C@H](CO[C@H]5[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O5)[C@@H](O)[C@H](O)[C@H]4O

Canonical SMILES

O=C1C(OC2OC(COC3OC(C)C(O)C(O)C3O)C(O)C(O)C2O)=C(OC4=CC(OCCO)=CC(O)=C14)C=5C=CC(OCCO)=C(OCCO)C5

Other Names for this Substance

  • 4H-1-Benzopyran-4-one, 2-[3,4-bis(2-hydroxyethoxy)phenyl]-3-[[6-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-5-hydroxy-7-(2-hydroxyethoxy)-
  • Flavone, 3,5-dihydroxy-3′,4′,7-tris(2-hydroxyethoxy)-, 3-[6-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranoside]
  • 2-[3,4-Bis(2-hydroxyethoxy)phenyl]-3-[[6-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-5-hydroxy-7-(2-hydroxyethoxy)-4H-1-benzopyran-4-one
  • 3′,4′,7-Tris(hydroxyethyl)rutin
  • Troxerutin

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Deleted or Replaced CAS Registry Numbers

12041-99-5, 27321-15-9, 29702-52-1, 37396-63-7, 68244-17-7, 96304-71-1, 288306-51-4, 1260230-02-1

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