Kakkalide

CAS Registry Number®

58274-56-9
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CAS Name

Kakkalide

Molecular Formula

C28H32O15

Molecular Mass

608.54

Cite this Page

Kakkalide.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=58274-56-9 (retrieved 2024-09-07) (CAS RN: 58274-56-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    250-252 °C

Source(s)

  • (1) Denotes property values from the ZIC/VINITI data file provided by InfoChem.

Other Names and Identifiers

InChI

InChI=1S/C28H32O15/c1-37-12-5-3-11(4-6-12)13-8-39-15-7-16(26(38-2)22(33)18(15)19(13)30)42-28-25(36)23(34)21(32)17(43-28)10-41-27-24(35)20(31)14(29)9-40-27/h3-8,14,17,20-21,23-25,27-29,31-36H,9-10H2,1-2H3/t14-,17-,20+,21-,23+,24-,25-,27+,28-/m1/s1

InChIKey

InChIKey=QTVAYNGFFDZGDR-CIJVEFAYSA-N

SMILES

O=C1C=2C(=CC(O[C@@H]3O[C@H](CO[C@H]4[C@H](O)[C@@H](O)[C@H](O)CO4)[C@@H](O)[C@H](O)[C@H]3O)=C(OC)C2O)OC=C1C5=CC=C(OC)C=C5

Canonical SMILES

O=C1C(=COC=2C=C(OC3OC(COC4OCC(O)C(O)C4O)C(O)C(O)C3O)C(OC)=C(O)C12)C=5C=CC(OC)=CC5

Other Names for this Substance

  • 4H-1-Benzopyran-4-one, 5-hydroxy-6-methoxy-3-(4-methoxyphenyl)-7-[(6-O-β-D-xylopyranosyl-β-D-glucopyranosyl)oxy]-
  • 5-Hydroxy-6-methoxy-3-(4-methoxyphenyl)-7-[(6-O-β-D-xylopyranosyl-β-D-glucopyranosyl)oxy]-4H-1-benzopyran-4-one
  • Kakkalide