(3β,5β)-3-(β-D-Glucopyranosyloxy)-14-hydroxycard-20(22)-enolide

CAS Registry Number®

17059-16-4

CAS Name

(3β,5β)-3-(β-D-Glucopyranosyloxy)-14-hydroxycard-20(22)-enolide

Molecular Formula

C29H44O9

Molecular Mass

536.65

Cite this Page

(3β,5β)-3-(β-D-Glucopyranosyloxy)-14-hydroxycard-20(22)-enolide.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=17059-16-4 (retrieved 2024-12-23) (CAS RN: 17059-16-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    198-200 °C

Source(s)

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

Other Names and Identifiers

InChI

InChI=1S/C29H44O9/c1-27-8-5-17(37-26-25(34)24(33)23(32)21(13-30)38-26)12-16(27)3-4-20-19(27)6-9-28(2)18(7-10-29(20,28)35)15-11-22(31)36-14-15/h11,16-21,23-26,30,32-35H,3-10,12-14H2,1-2H3/t16-,17+,18-,19+,20-,21-,23-,24+,25-,26-,27+,28-,29+/m1/s1

InChIKey

InChIKey=CMHWMOGWFZWDMR-FVGBAMMESA-N

SMILES

O[C@@]12[C@]3([C@@]([C@]4(C)[C@](CC3)(C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC4)[H])(CC[C@]1(C)[C@H](CC2)C=6COC(=O)C6)[H])[H]

Canonical SMILES

O=C1OCC(=C1)C2CCC3(O)C4CCC5CC(OC6OC(CO)C(O)C(O)C6O)CCC5(C)C4CCC23C

Other Names for this Substance

  • Card-20(22)-enolide, 3-(β-D-glucopyranosyloxy)-14-hydroxy-, (3β,5β)-
  • 5β-Card-20(22)-enolide, 3β-(β-D-glucopyranosyloxy)-14-hydroxy-
  • Glucopyranoside, digitoxigenin-3, β-D-
  • (3β,5β)-3-(β-D-Glucopyranosyloxy)-14-hydroxycard-20(22)-enolide
  • AY 22248

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Deleted or Replaced CAS Registry Numbers

31567-38-1

CAS INSIGHTSTM
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