Quercetin 3-O-neohesperidoside

CAS Registry Number®

32453-36-4
No image available.

CAS Name

Quercetin 3-O-neohesperidoside

Molecular Formula

C27H30O16

Molecular Mass

610.52

Cite this Page

Quercetin 3-O-neohesperidoside.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=32453-36-4 (retrieved 2024-08-27) (CAS RN: 32453-36-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    216-220 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C27H30O16/c1-8-17(33)20(36)22(38)26(39-8)43-25-21(37)18(34)15(7-28)41-27(25)42-24-19(35)16-13(32)5-10(29)6-14(16)40-23(24)9-2-3-11(30)12(31)4-9/h2-6,8,15,17-18,20-22,25-34,36-38H,7H2,1H3/t8-,15+,17-,18+,20+,21-,22+,25+,26-,27-/m0/s1

InChIKey

InChIKey=FYBMGZSDYDNBFX-GXPPAHCZSA-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)[C@H](C)O5)[C@@H](O)[C@H](O)[C@@H](CO)O4

Canonical SMILES

O=C1C(OC2OC(CO)C(O)C(O)C2OC3OC(C)C(O)C(O)C3O)=C(OC=4C=C(O)C=C(O)C14)C=5C=CC(O)=C(O)C5

Other Names for this Substance

  • 4H-1-Benzopyran-4-one, 3-[[2-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-
  • Flavone, 3,3′,4′,5,7-pentahydroxy-, 3-[2-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranoside]
  • 3-[[2-O-(6-Deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one
  • Quercetin 3-neohesperidoside
  • Q 7

View All

Deleted or Replaced CAS Registry Numbers

55696-54-3, 93125-99-6, 847996-84-3, 1007090-26-7