16-Acetoxy-3,19-dihydroxy-14,15-epoxybufa-20,22-dienolide

Basic Information

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CAS Number

6691-83-4

Molecular Formula

C26H34O7

Molecular Weight

458.55 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Physical State

Powder

Solubility

Methanol

SMILES

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CC(=O)OC1C(C2(CCC3C(C24C1O4)CCC5C3(CCC(C5)O)CO)C)c6ccc(=O)oc6

InChI

InChI=1S/C26H34O7/c1-14(28)32-22-21(15-3-6-20(30)31-12-15)24(2)9-8-18-19(26(24)23(22)33-26)5-4-16-11-17(29)7-10-25(16,18)13-27/h3,6,12,16-19,21-23,27,29H,4-5,7-11,13H2,1-2H3

InChIKey

KDRVIPFIZZDLGB-UHFFFAOYSA-N

LogP

2.7723000000000013

Topological Polar Surface Area

109.50000000000001 Å²

Hydrogen Bond Donor/Acceptor

2 / 7

Complexity

941

Safety Information

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Storage Conditions

2-8℃

Synonyms & References

English

16-(acetyloxy)-3,19-dihydroxy-14,15-epoxybufa-20,22-dienolide
Cinobufaginol
5β-Bufa-20,22-dienolide, 14,15β-epoxy-3β,16β,19-trihydroxy-, 16-acetate (7CI,8CI)

MDL Number

MFCD31747005

FAQ

What is 16-Acetoxy-3,19-dihydroxy-14,15-epoxybufa-20,22-dienolide (CAS: 6691-83-4)?

16-Acetoxy-3,19-dihydroxy-14,15-epoxybufa-20,22-dienolide (CAS: 6691-83-4) is a bufadienolide compound, which belongs to the steroid family. It is characterized by a unique chemical structure with an epoxy group and a dienolide moiety. This compound exhibits cardiac and anti-inflammatory properties and is often used in the research and development of pharmaceuticals.

What are the main uses of 16-Acetoxy-3,19-dihydroxy-14,15-epoxybufa-20,22-dienolide (CAS: 6691-83-4)?

16-Acetoxy-3,19-dihydroxy-14,15-epoxybufa-20,22-dienolide (CAS: 6691-83-4) is primarily used in pharmaceutical research for its cardiac and anti-inflammatory properties. It is also utilized in biological and medicinal chemistry studies for its potential therapeutic applications.

Is 16-Acetoxy-3,19-dihydroxy-14,15-epoxybufa-20,22-dienolide (CAS: 6691-83-4) safe?

16-Acetoxy-3,19-dihydroxy-14,15-epoxybufa-20,22-dienolide (CAS: 6691-83-4) is generally considered safe when handled according to proper laboratory protocols. However, it should be used with caution due to its potential toxicity. Protective measures such as using gloves and respirators are recommended to minimize exposure risks.

How should 16-Acetoxy-3,19-dihydroxy-14,15-epoxybufa-20,22-dienolide (CAS: 6691-83-4) be stored?

16-Acetoxy-3,19-dihydroxy-14,15-epoxybufa-20,22-dienolide (CAS: 6691-83-4) should be stored in a cool, dry place away from direct sunlight and heat. It is advisable to keep the compound in a tightly closed container to protect it from moisture and air. Ideally, a refrigerator at 4°C can be used for long-term storage to maintain its stability.