Quercetin 3-O-(2G-β-D-xylopyranosylrutinoside)

CAS Registry Number®

129235-39-8

CAS Name

Quercetin 3-O-(2G-β-D-xylopyranosylrutinoside)

Molecular Formula

C32H38O20

Molecular Mass

742.63

Cite this Page

Quercetin 3-O-(2G-β-D-xylopyranosylrutinoside).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=129235-39-8 (retrieved 2024-11-22) (CAS RN: 129235-39-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C32H38O20/c1-9-19(38)23(42)26(45)30(48-9)47-8-17-21(40)24(43)29(52-31-25(44)20(39)15(37)7-46-31)32(50-17)51-28-22(41)18-14(36)5-11(33)6-16(18)49-27(28)10-2-3-12(34)13(35)4-10/h2-6,9,15,17,19-21,23-26,29-40,42-45H,7-8H2,1H3/t9-,15+,17+,19-,20-,21+,23+,24-,25+,26+,29+,30+,31-,32-/m0/s1

InChIKey

InChIKey=RLTNQOUWXZXZCS-VMMUDTPISA-N

SMILES

O(C1=C(OC=2C(C1=O)=C(O)C=C(O)C2)C3=CC(O)=C(O)C=C3)[C@H]4[C@H](O[C@H]5[C@H](O)[C@@H](O)[C@H](O)CO5)[C@@H](O)[C@H](O)[C@@H](CO[C@H]6[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O6)O4

Canonical SMILES

O=C1C(OC2OC(COC3OC(C)C(O)C(O)C3O)C(O)C(O)C2OC4OCC(O)C(O)C4O)=C(OC=5C=C(O)C=C(O)C15)C=6C=CC(O)=C(O)C6

Other Names for this Substance

  • 4H-1-Benzopyran-4-one, 3-[(O-6-deoxy-α-L-mannopyranosyl-(1→6)-O-[β-D-xylopyranosyl-(1→2)]-β-D-glucopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-
  • 3-[(O-6-Deoxy-α-L-mannopyranosyl-(1→6)-O-[β-D-xylopyranosyl-(1→2)]-β-D-glucopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one
  • Quercetin 3-O-(2G-β-D-xylopyranosylrutinoside)

CAS INSIGHTSTM
Targeted protein degrader structure, illustration