Cassiaside C

CAS Registry Number®

119170-52-4

CAS Name

Cassiaside C

Molecular Formula

C27H32O15

Molecular Mass

596.53

Cite this Page

Cassiaside C.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=119170-52-4 (retrieved 2024-11-24) (CAS RN: 119170-52-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    235-237 °C

Source(s)

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

Other Names and Identifiers

InChI

InChI=1S/C27H32O15/c1-9-3-10-4-11-5-12(37-2)6-13(16(11)20(31)17(10)25(36)39-9)40-27-24(35)22(33)19(30)15(42-27)8-38-26-23(34)21(32)18(29)14(7-28)41-26/h3-6,14-15,18-19,21-24,26-35H,7-8H2,1-2H3/t14-,15-,18-,19-,21+,22+,23-,24-,26-,27-/m1/s1

InChIKey

InChIKey=GBGJNKYTLIUCMX-YUMVGKRXSA-N

SMILES

O(C=1C2=C(C=C3C(=C2O)C(=O)OC(C)=C3)C=C(OC)C1)[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=C1OC(=CC=2C=C3C=C(OC)C=C(OC4OC(COC5OC(CO)C(O)C(O)C5O)C(O)C(O)C4O)C3=C(O)C12)C

Other Names for this Substance

  • 1H-Naphtho[2,3-c]pyran-1-one, 9-[(6-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]-10-hydroxy-7-methoxy-3-methyl-
  • 9-[(6-O-β-D-Glucopyranosyl-β-D-glucopyranosyl)oxy]-10-hydroxy-7-methoxy-3-methyl-1H-naphtho[2,3-c]pyran-1-one
  • Cassiaside C
  • Toralactone gentiobioside
  • Toralactone 9-O-β-D-gentiobioside

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