4-β-D-Glucopyranosyl-1,6,7-trihydroxy-3-methoxy-9H-xanthen-9-one

CAS Registry Number®

83118-66-5

CAS Name

4-β-D-Glucopyranosyl-1,6,7-trihydroxy-3-methoxy-9H-xanthen-9-one

Molecular Formula

C20H20O11

Molecular Mass

436.37

Cite this Page

4-β-D-Glucopyranosyl-1,6,7-trihydroxy-3-methoxy-9H-xanthen-9-one.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=83118-66-5 (retrieved 2024-11-05) (CAS RN: 83118-66-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    183-184 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C20H20O11/c1-29-11-4-9(24)13-15(25)6-2-7(22)8(23)3-10(6)30-19(13)14(11)20-18(28)17(27)16(26)12(5-21)31-20/h2-4,12,16-18,20-24,26-28H,5H2,1H3/t12-,16-,17+,18-,20+/m1/s1

InChIKey

InChIKey=VXVIYGXUCPLQBI-IFPLRMGXSA-N

SMILES

O(C)C=1C(=C2C(C(=O)C=3C(O2)=CC(O)=C(O)C3)=C(O)C1)[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O

Canonical SMILES

O=C1C2=CC(O)=C(O)C=C2OC=3C1=C(O)C=C(OC)C3C4OC(CO)C(O)C(O)C4O

Other Names for this Substance

  • 9H-Xanthen-9-one, 4-β-D-glucopyranosyl-1,6,7-trihydroxy-3-methoxy-
  • 4-β-D-Glucopyranosyl-1,6,7-trihydroxy-3-methoxy-9H-xanthen-9-one
  • Isochinomin
  • 3-O-Methylisomangiferin

CAS INSIGHTSTM
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