k-Strophanthin-β

CAS Registry Number®

560-53-2
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CAS Name

k-Strophanthin-β

Molecular Formula

C36H54O14

Molecular Mass

710.81

Cite this Page

k-Strophanthin-β.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?ref=560-53-2 (retrieved 2024-04-29) (CAS RN: 560-53-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    176 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C36H54O14/c1-18-31(50-32-30(42)29(41)28(40)25(15-37)49-32)24(45-3)13-27(47-18)48-20-4-9-34(17-38)22-5-8-33(2)21(19-12-26(39)46-16-19)7-11-36(33,44)23(22)6-10-35(34,43)14-20/h12,17-18,20-25,27-32,37,40-44H,4-11,13-16H2,1-3H3/t18-,20+,21-,22+,23-,24+,25-,27+,28-,29+,30-,31-,32+,33-,34+,35+,36+/m1/s1

InChIKey

InChIKey=FHIREUBIEIPPMC-SADZTDHOSA-N

SMILES

C(=O)[C@@]12[C@@]3([C@]([C@]4(O)[C@](C)(CC3)[C@H](CC4)C=5COC(=O)C5)(CC[C@]1(O)C[C@@H](O[C@H]6C[C@H](OC)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@@H](C)O6)CC2)[H])[H]

Canonical SMILES

O=CC12CCC(OC3OC(C)C(OC4OC(CO)C(O)C(O)C4O)C(OC)C3)CC2(O)CCC5C1CCC6(C)C(C7=CC(=O)OC7)CCC56O

Other Names for this Substance

  • Card-20(22)-enolide, 3-[(2,6-dideoxy-4-O-β-D-glucopyranosyl-3-O-methyl-β-D-xylo-hexopyranosyl)oxy]-5,14-dihydroxy-19-oxo-, (3β,5β)-
  • (3β,5β)-3-[(2,6-Dideoxy-4-O-β-D-glucopyranosyl-3-O-methyl-β-D-ribo-hexopyranosyl)oxy]-5,14-dihydroxy-19-oxocard-20(22)-enolide
  • k-Strophanthin-β
  • β-k-Strophanthin
  • NSC 4320

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Deleted or Replaced CAS Registry Numbers

414-49-3, 3730-83-4, 898813-99-5

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