Arenobufagin

CAS Registry Number®

464-74-4
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CAS Name

Arenobufagin

Molecular Formula

C24H32O6

Molecular Mass

416.51

Cite this Page

Arenobufagin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=464-74-4 (retrieved 2024-04-20) (CAS RN: 464-74-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    220 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C24H32O6/c1-22-9-7-15(25)11-14(22)4-5-17-19(22)20(27)21(28)23(2)16(8-10-24(17,23)29)13-3-6-18(26)30-12-13/h3,6,12,14-17,19-20,25,27,29H,4-5,7-11H2,1-2H3/t14-,15+,16-,17-,19-,20+,22+,23+,24+/m1/s1

InChIKey

InChIKey=JGDCRWYOMWSTFC-AZGSIFHYSA-N

SMILES

C[C@@]12[C@@](O)([C@]3([C@]([C@H](O)C1=O)([C@]4(C)[C@](CC3)(C[C@@H](O)CC4)[H])[H])[H])CC[C@@H]2C=5C=CC(=O)OC5

Canonical SMILES

O=C1OC=C(C=C1)C2CCC3(O)C4CCC5CC(O)CCC5(C)C4C(O)C(=O)C23C

Other Names for this Substance

  • Bufa-20,22-dienolide, 3,11,14-trihydroxy-12-oxo-, (3β,5β,11α)-
  • 5β-Bufa-20,22-dienolide, 3β,11α,14-trihydroxy-12-oxo-
  • (3β,5β,11α)-3,11,14-Trihydroxy-12-oxobufa-20,22-dienolide
  • Arenobufagin

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