Cinobufagin

CAS Registry Number®

470-37-1
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CAS Name

Cinobufagin

Molecular Formula

C26H34O6

Molecular Mass

442.54

Cite this Page

Cinobufagin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=470-37-1 (retrieved 2024-04-26) (CAS RN: 470-37-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    222-223 °C

  • Density (2)

    1.261 g/cm³

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C26H34O6/c1-14(27)31-22-21(15-4-7-20(29)30-13-15)25(3)11-9-18-19(26(25)23(22)32-26)6-5-16-12-17(28)8-10-24(16,18)2/h4,7,13,16-19,21-23,28H,5-6,8-12H2,1-3H3/t16-,17+,18+,19-,21+,22-,23-,24+,25-,26-/m1/s1

InChIKey

InChIKey=SCULJPGYOQQXTK-OLRINKBESA-N

SMILES

C[C@]12[C@]3([C@](O3)([C@H](OC(C)=O)[C@@H]1C=4C=CC(=O)OC4)[H])[C@]5([C@](CC2)([C@]6(C)[C@](CC5)(C[C@@H](O)CC6)[H])[H])[H]

Canonical SMILES

O=C1OC=C(C=C1)C2C(OC(=O)C)C3OC34C5CCC6CC(O)CCC6(C)C5CCC24C

Other Names for this Substance

  • Bufa-20,22-dienolide, 16-(acetyloxy)-14,15-epoxy-3-hydroxy-, (3β,5β,15β,16β)-
  • 5β-Bufa-20,22-dienolide, 14,15β-epoxy-3β,16β-dihydroxy-, 16-acetate
  • Cinobufagin
  • 14,15-Epoxy-14H-cyclopenta[a]phenanthrene, bufa-20,22-dienolide deriv.
  • (3β,5β,15β,16β)-16-(Acetyloxy)-14,15-epoxy-3-hydroxybufa-20,22-dienolide

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Deleted or Replaced CAS Registry Numbers

1476-69-3, 25875-35-8

CAS INSIGHTSTM
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