Patuletin 3-O-β-gentiobioside

CAS Registry Number®

101021-28-7

CAS Name

Patuletin 3-O-β-gentiobioside

Molecular Formula

C28H32O18

Molecular Mass

656.54

Cite this Page

Patuletin 3-O-β-gentiobioside.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=101021-28-7 (retrieved 2024-11-05) (CAS RN: 101021-28-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C28H32O18/c1-41-25-11(32)5-12-15(18(25)35)19(36)26(24(43-12)8-2-3-9(30)10(31)4-8)46-28-23(40)21(38)17(34)14(45-28)7-42-27-22(39)20(37)16(33)13(6-29)44-27/h2-5,13-14,16-17,20-23,27-35,37-40H,6-7H2,1H3/t13-,14-,16-,17-,20+,21+,22-,23-,27-,28+/m1/s1

InChIKey

InChIKey=WRDDFOFFQDOVRV-TURUJKBLSA-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]4O[C@H](CO[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O

Canonical SMILES

O=C1C(OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)=C(OC4=CC(O)=C(OC)C(O)=C14)C=5C=CC(O)=C(O)C5

Other Names for this Substance

  • 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-3-[(6-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]-5,7-dihydroxy-6-methoxy-
  • 2-(3,4-Dihydroxyphenyl)-3-[(6-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]-5,7-dihydroxy-6-methoxy-4H-1-benzopyran-4-one
  • Patuletin 3-O-β-gentiobioside

CAS INSIGHTSTM
Abstract Background of Blurry Golden Particles