Patuletin 3-glucosyl-(1→6)[apiosyl(1→2)]glucoside

CAS Registry Number®

101021-30-1
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CAS Name

Patuletin 3-glucosyl-(1→6)[apiosyl(1→2)]glucoside

Molecular Formula

C33H40O22

Molecular Mass

788.66

Cite this Page

Patuletin 3-glucosyl-(1→6)[apiosyl(1→2)]glucoside.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=101021-30-1 (retrieved 2024-09-19) (CAS RN: 101021-30-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C33H40O22/c1-48-26-13(38)5-14-17(20(26)41)21(42)27(25(51-14)10-2-3-11(36)12(37)4-10)54-31-28(55-32-29(46)33(47,8-35)9-50-32)23(44)19(40)16(53-31)7-49-30-24(45)22(43)18(39)15(6-34)52-30/h2-5,15-16,18-19,22-24,28-32,34-41,43-47H,6-9H2,1H3/t15-,16-,18-,19-,22+,23+,24-,28-,29+,30-,31+,32+,33-/m1/s1

InChIKey

InChIKey=IQBTXBIIGNASBG-TVOXTKHZSA-N

SMILES

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

Canonical SMILES

O=C1C(OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2OC4OCC(O)(CO)C4O)=C(OC5=CC(O)=C(OC)C(O)=C15)C=6C=CC(O)=C(O)C6

Other Names for this Substance

  • 4H-1-Benzopyran-4-one, 3-[(O-D-apio-β-D-furanosyl-(1→2)-O-[β-D-glucopyranosyl-(1→6)]-β-D-glucopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-methoxy-
  • 3-[(O-D-Apio-β-D-furanosyl-(1→2)-O-[β-D-glucopyranosyl-(1→6)]-β-D-glucopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-methoxy-4H-1-benzopyran-4-one
  • Patuletin 3-glucosyl-(1→6)[apiosyl(1→2)]glucoside