CAS 98205-50-6

(1β,3β,5β,11α)-1,3,5-[(1R)-Ethylidynetris(oxy)]-11,14-dihydroxy-12,19-dioxobufa-20,22-dienolide

Description:

The chemical substance known as "(1β,3β,5β,11α)-1,3,5-[(1R)-Ethylidynetris(oxy)]-11,14-dihydroxy-12,19-dioxobufa-20,22-dienolide," with the CAS number 98205-50-6, is a complex organic compound characterized by its unique structural features, including multiple hydroxyl groups and a dioxolane moiety. This compound belongs to the class of bufadienolides, which are steroidal compounds derived from toads and certain plants. Its structure suggests potential biological activity, particularly in relation to its interaction with cellular membranes and signaling pathways. The presence of multiple functional groups, such as hydroxyls and ether linkages, may contribute to its solubility and reactivity. Additionally, the stereochemistry indicated by the specific configuration of the substituents plays a crucial role in determining its pharmacological properties. While detailed studies on its biological effects may be limited, compounds of this nature are often investigated for their potential therapeutic applications, including anti-cancer and anti-inflammatory activities. Further research is necessary to fully elucidate its properties and potential uses in medicinal chemistry.

Formula: C₂₆H₃₀O₉

InChI: InChI=1S/C26H30O9/c1-22-15(13-3-4-18(28)32-11-13)6-8-26(22,31)16-5-7-24-10-14-9-17(34-23(2,33-14)35-24)25(24,12-27)19(16)20(29)21(22)30/h3-4,11-12,14-17,19-20,29,31H,5-10H2,1-2H3/t14-,15+,16+,17+,19+,20-,22-,23+,24-,25+,26-/m0/s1

InChI key: InChIKey=PHOLEJIIASOWOL-XOGNUPMYSA-N

SMILES: C(=O)[C@@]12[C@]3(O[C@@]4(C)O[C@@]1(C[C@@](C3)(O4)[H])[H])CC[C@@]5([C@@]2([C@H](O)C(=O)[C@@]6(C)[C@]5(O)CC[C@@H]6C=7C=CC(=O)OC7)[H])[H]

Synonyms:

• Daigremontianin
• (1β,3β,5β,11α)-1,3,5-[(1R)-Ethylidynetris(oxy)]-11,14-dihydroxy-12,19-dioxobufa-20,22-dienolide
• Bufa-20,22-dienolide, 1,3,5-[(1R)-ethylidynetris(oxy)]-11,14-dihydroxy-12,19-dioxo-, (1β,3β,5β,11α)-
• Bufa-20,22-dienolide, 1,3,5-[ethylidynetris(oxy)]-11,14-dihydroxy-12,19-dioxo-, [1β(R),3β,5β,11α]-

Daigremontianin

CAS: 98205-50-6

Lactone

Formula: C₂₆H₃₀O₉

Purity: ≥ 90.0 % (HPLC)

Molecular weight: 486.51

Ref: 5G-86963

Daigremontianin

CAS: 98205-50-6

Daigremontianin is a bufo dienolide similar to cardioside.

Formula: C₂₆H₃₀O₉

Color and Shape: Solid

Molecular weight: 486.51

Ref: TM-T31192