Bufalin

CAS Registry Number®

465-21-4

CAS Name

Bufalin

Molecular Formula

C24H34O4

Molecular Mass

386.52

Cite this Page

Bufalin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=465-21-4 (retrieved 2024-11-22) (CAS RN: 465-21-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    242.5 °C

Source(s)

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

Other Names and Identifiers

InChI

InChI=1S/C24H34O4/c1-22-10-7-17(25)13-16(22)4-5-20-19(22)8-11-23(2)18(9-12-24(20,23)27)15-3-6-21(26)28-14-15/h3,6,14,16-20,25,27H,4-5,7-13H2,1-2H3/t16-,17+,18-,19+,20-,22+,23-,24+/m1/s1

InChIKey

InChIKey=QEEBRPGZBVVINN-BMPKRDENSA-N

SMILES

O[C@@]12[C@@](C)([C@H](CC1)C=3C=CC(=O)OC3)CC[C@]4([C@]2(CC[C@]5([C@]4(C)CC[C@H](O)C5)[H])[H])[H]

Canonical SMILES

O=C1OC=C(C=C1)C2CCC3(O)C4CCC5CC(O)CCC5(C)C4CCC23C

Other Names for this Substance

  • Bufa-20,22-dienolide, 3,14-dihydroxy-, (3β,5β)-
  • Bufalin
  • 5β-Bufa-20,22-dienolide, 3β,14-dihydroxy-
  • (3β,5β)-3,14-Dihydroxybufa-20,22-dienolide
  • NSC 89595

View All

Deleted or Replaced CAS Registry Numbers

2381-02-4

CAS INSIGHTSTM
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