Saponarin

CAS Registry Number®

20310-89-8
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CAS Name

Saponarin

Molecular Formula

C27H30O15

Molecular Mass

594.52

Cite this Page

Saponarin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=20310-89-8 (retrieved 2024-04-23) (CAS RN: 20310-89-8).  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/C27H30O15/c28-7-15-19(32)22(35)24(37)26(40-15)18-14(41-27-25(38)23(36)20(33)16(8-29)42-27)6-13-17(21(18)34)11(31)5-12(39-13)9-1-3-10(30)4-2-9/h1-6,15-16,19-20,22-30,32-38H,7-8H2/t15-,16-,19-,20-,22+,23+,24-,25-,26+,27-/m1/s1

InChIKey

InChIKey=HGUVPEBGCAVWID-KETMJRJWSA-N

SMILES

O(C1=C(C(O)=C2C(=C1)OC(=CC2=O)C3=CC=C(O)C=C3)[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O

Canonical SMILES

O=C1C=C(OC=2C=C(OC3OC(CO)C(O)C(O)C3O)C(=C(O)C12)C4OC(CO)C(O)C(O)C4O)C=5C=CC(O)=CC5

Other Names for this Substance

  • 4H-1-Benzopyran-4-one, 6-β-D-glucopyranosyl-7-(β-D-glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-
  • Saponarin
  • 6-β-D-Glucopyranosyl-7-(β-D-glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one
  • Isovitexin 7-β-D-glucopyranoside
  • Petrocomoside

View All

Deleted or Replaced CAS Registry Numbers

98601-05-9, 1329-51-7, 11018-95-4, 21753-79-7, 61383-36-6, 66982-79-4

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