Kaempferol 3-sophorotrioside

CAS Registry Number®

80714-53-0

CAS Name

Kaempferol 3-sophorotrioside

Molecular Formula

C33H40O21

Molecular Mass

772.66

Cite this Page

Kaempferol 3-sophorotrioside.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=80714-53-0 (retrieved 2024-11-21) (CAS RN: 80714-53-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    210-215 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C33H40O21/c34-7-15-19(40)23(44)26(47)31(49-15)53-29-24(45)20(41)17(9-36)51-33(29)54-30-25(46)21(42)16(8-35)50-32(30)52-28-22(43)18-13(39)5-12(38)6-14(18)48-27(28)10-1-3-11(37)4-2-10/h1-6,15-17,19-21,23-26,29-42,44-47H,7-9H2/t15-,16-,17-,19-,20-,21-,23+,24+,25+,26-,29-,30-,31+,32+,33+/m1/s1

InChIKey

InChIKey=MGAFCXOXRHSKIA-MEBVLIOMSA-N

SMILES

O(C1=C(OC=2C(C1=O)=C(O)C=C(O)C2)C3=CC=C(O)C=C3)[C@H]4[C@H](O[C@H]5[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@@H](O)[C@H](O)[C@@H](CO)O5)[C@@H](O)[C@H](O)[C@@H](CO)O4

Canonical SMILES

O=C1C(OC2OC(CO)C(O)C(O)C2OC3OC(CO)C(O)C(O)C3OC4OC(CO)C(O)C(O)C4O)=C(OC=5C=C(O)C=C(O)C15)C=6C=CC(O)=CC6

Other Names for this Substance

  • 4H-1-Benzopyran-4-one, 3-[(O-β-D-glucopyranosyl-(1→2)-O-β-D-glucopyranosyl-(1→2)-β-D-glucopyranosyl)oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-
  • 3-[(O-β-D-Glucopyranosyl-(1→2)-O-β-D-glucopyranosyl-(1→2)-β-D-glucopyranosyl)oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one
  • Kaempferol 3-sophorotrioside

CAS INSIGHTSTM
Targeted protein degrader structure, illustration