Calenduloside E

CAS Registry Number®

26020-14-4
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CAS Name

Calenduloside E

Molecular Formula

C36H56O9

Molecular Mass

632.82

Cite this Page

Calenduloside E.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=26020-14-4 (retrieved 2024-05-09) (CAS RN: 26020-14-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    243-245 °C (decomp)

Source(s)

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

Other Names and Identifiers

InChI

InChI=1S/C36H56O9/c1-31(2)14-16-36(30(42)43)17-15-34(6)19(20(36)18-31)8-9-22-33(5)12-11-23(32(3,4)21(33)10-13-35(22,34)7)44-29-26(39)24(37)25(38)27(45-29)28(40)41/h8,20-27,29,37-39H,9-18H2,1-7H3,(H,40,41)(H,42,43)/t20-,21-,22+,23-,24-,25-,26+,27-,29+,33-,34+,35+,36-/m0/s1

InChIKey

InChIKey=IUCHKMAZAWJNBJ-RCYXVVTDSA-N

SMILES

C[C@]12[C@@]3(C)C([C@]4([C@@](C(O)=O)(CC3)CCC(C)(C)C4)[H])=CC[C@@]1([C@]5(C)[C@@](CC2)(C(C)(C)[C@@H](O[C@@H]6O[C@H](C(O)=O)[C@@H](O)[C@H](O)[C@H]6O)CC5)[H])[H]

Canonical SMILES

O=C(O)C1OC(OC2CCC3(C)C4CC=C5C6CC(C)(C)CCC6(C(=O)O)CCC5(C)C4(C)CCC3C2(C)C)C(O)C(O)C1O

Other Names for this Substance

  • β-D-Glucopyranosiduronic acid, (3β)-17-carboxy-28-norolean-12-en-3-yl
  • Olean-12-en-28-oic acid, 3β-(β-D-glucopyranuronosyloxy)-
  • Glucopyranosiduronic acid, 3β-hydroxyolean-12-en-28-oic acid, β-D-
  • 28-Noroleanane, β-D-glucopyranosiduronic acid deriv.
  • (3β)-17-Carboxy-28-norolean-12-en-3-yl β-D-glucopyranosiduronic acid

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Deleted or Replaced CAS Registry Numbers

26020-26-8, 90452-94-1, 108322-31-2, 412353-21-0, 2601730-55-4, 2601730-57-6

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