Cinobufotalin

CAS Registry Number®

1108-68-5

CAS Name

Cinobufotalin

Molecular Formula

C26H34O7

Molecular Mass

458.54

Cite this Page

Cinobufotalin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1108-68-5 (retrieved 2024-11-21) (CAS RN: 1108-68-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    260.5 °C

Source(s)

  • (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)

Other Names and Identifiers

InChI

InChI=1S/C26H34O7/c1-14(27)32-21-20(15-4-5-19(29)31-13-15)24(3)10-7-17-18(26(24)22(21)33-26)8-11-25(30)12-16(28)6-9-23(17,25)2/h4-5,13,16-18,20-22,28,30H,6-12H2,1-3H3/t16-,17-,18+,20-,21+,22+,23+,24+,25-,26+/m0/s1

InChIKey

InChIKey=KBKUJJFDSHBPPA-ZNCGZLKOSA-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@](O)(CC5)C[C@@H](O)CC6)[H])[H]

Canonical SMILES

O=C1OC=C(C=C1)C2C(OC(=O)C)C3OC34C5CCC6(O)CC(O)CCC6(C)C5CCC24C

Other Names for this Substance

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

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CAS INSIGHTSTM
Targeted protein degrader structure, illustration