4H-1-Benzopyran-4-one, 3-[[6-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-7-(β-D-glucopyranosyloxy)-2-[3-(β-D-glucopyranosyloxy)-4-hydroxyphenyl]-5-hydroxy-

CAS Registry Number®

75213-00-2

CAS Name

4H-1-Benzopyran-4-one, 3-[[6-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-7-(β-D-glucopyranosyloxy)-2-[3-(β-D-glucopyranosyloxy)-4-hydroxyphenyl]-5-hydroxy-

Molecular Formula

C39H50O26

Molecular Mass

934.80

Cite this Page

4H-1-Benzopyran-4-one, 3-[[6-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-7-(β-D-glucopyranosyloxy)-2-[3-(β-D-glucopyranosyloxy)-4-hydroxyphenyl]-5-hydroxy-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=75213-00-2 (retrieved 2024-12-28) (CAS RN: 75213-00-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C39H50O26/c1-10-21(44)26(49)30(53)36(58-10)57-9-19-24(47)29(52)33(56)39(64-19)65-35-25(48)20-14(43)5-12(59-37-31(54)27(50)22(45)17(7-40)62-37)6-16(20)60-34(35)11-2-3-13(42)15(4-11)61-38-32(55)28(51)23(46)18(8-41)63-38/h2-6,10,17-19,21-24,26-33,36-47,49-56H,7-9H2,1H3

InChIKey

InChIKey=OMIUWTZERGHBER-UHFFFAOYSA-N

SMILES

O(C1=C(OC=2C(C1=O)=C(O)C=C(OC3OC(CO)C(O)C(O)C3O)C2)C4=CC(OC5OC(CO)C(O)C(O)C5O)=C(O)C=C4)C6OC(COC7C(O)C(O)C(O)C(C)O7)C(O)C(O)C6O

Canonical SMILES

O=C1C(OC2OC(COC3OC(C)C(O)C(O)C3O)C(O)C(O)C2O)=C(OC4=CC(OC5OC(CO)C(O)C(O)C5O)=CC(O)=C14)C=6C=CC(O)=C(OC7OC(CO)C(O)C(O)C7O)C6

Other Names for this Substance

  • 4H-1-Benzopyran-4-one, 3-[[6-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-7-(β-D-glucopyranosyloxy)-2-[3-(β-D-glucopyranosyloxy)-4-hydroxyphenyl]-5-hydroxy-
  • Quercetin 3-O-rutinosyl-7,3′-O-bisglucoside

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