(3beta,5beta,15beta,16beta)-3,16-Dihydroxy-14,15-epoxybufa-20,22-dienolide

Basic Information

View in Editor

CAS Number

4026-95-3

Molecular Formula

C24H32O5

Molecular Weight

400.52 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

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

Melting Point

278-280 ºC

Boiling Point

601.9℃ at 760 mmHg

Flash Point

208.1°C

Refractive Index

1.618

SMILES

View in Editor

C[C@](CC[C@]1([C@]2(CC[C@]3([C@]1(C)CC[C@@H](C3)O)[H])[H])[H])([C@]24[C@@H]5O4)[C@H]([C@H]5O)C(C=C6)=COC6=O

InChI

InChI=1S/C24H32O5/c1-22-9-7-15(25)11-14(22)4-5-17-16(22)8-10-23(2)19(13-3-6-18(26)28-12-13)20(27)21-24(17,23)29-21/h3,6,12,14-17,19-21,25,27H,4-5,7-11H2,1-2H3/t14-,15+,16+,17-,19+,20-,21-,22+,23-,24-/m1/s1

InChIKey

IXZHDDUFQVXHIL-UOAIQHMYSA-N

LogP

3.2291000000000016

Topological Polar Surface Area

83.19999999999999 Å²

Hydrogen Bond Donor/Acceptor

2 / 5

Complexity

818

Safety Information

View Safety Information

Storage Conditions

2-8℃

Synonyms & References

English

Desacetylcinobufagin
3β,16β-Dihydroxy-14,15β-epoxy-5β-bufa-20,22-dienolide
Deacetylcinobufagin
Deacetylcinobufagine
Cinobufagin, deacetyl-
16-deacetylcinobufagin
CID 123134752
5-[(1R,2S,4R,6R,7R,10S,11S,16R)-5,14-dihydroxy-7,11-dimethyl-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]
Deacetylcinobufagin,5β-Bufa-20,22-dienolide, 14,15β-epoxy-3β,16β-dihydroxy- (7CI,8CI); Cinobufagin, ...

MDL Number

MFCD01740865

FAQ

What is (3beta,5beta,15beta,16beta)-3,16-Dihydroxy-14,15-epoxybufa-20,22-dienolide (CAS: 4026-95-3)?

(3beta,5beta,15beta,16beta)-3,16-Dihydroxy-14,15-epoxybufa-20,22-dienolide is a steroidal compound with unique structural features, commonly used in pharmaceutical research for its anti-inflammatory and cardiotonic properties. It has a molecular formula of C27H38O4 and is known for its dihydroxy and epoxy functionalities.

What are the main uses of (3beta,5beta,15beta,16beta)-3,16-Dihydroxy-14,15-epoxybufa-20,22-dienolide (CAS: 4026-95-3)?

(3beta,5beta,15beta,16beta)-3,16-Dihydroxy-14,15-epoxybufa-20,22-dienolide is primarily used in pharmaceutical research for developing anti-inflammatory and cardiotonic drugs. It also finds applications in the formulation of natural product extracts and as a bioactive compound in experimental studies.

Is (3beta,5beta,15beta,16beta)-3,16-Dihydroxy-14,15-epoxybufa-20,22-dienolide (CAS: 4026-95-3) safe?

(3beta,5beta,15beta,16beta)-3,16-Dihydroxy-14,15-epoxybufa-20,22-dienolide is generally considered safe under controlled laboratory conditions and in pharmaceutical applications. However, proper handling and use should follow established safety protocols to avoid potential skin irritation or other adverse effects. Always wear appropriate personal protective equipment when handling the compound.

How should (3beta,5beta,15beta,16beta)-3,16-Dihydroxy-14,15-epoxybufa-20,22-dienolide (CAS: 4026-95-3) be stored?

(3beta,5beta,15beta,16beta)-3,16-Dihydroxy-14,15-epoxybufa-20,22-dienolide should be stored in a cool, dark place to protect it from light and humidity. Store at a temperature not exceeding 25°C and use tightly sealed containers to maintain its efficacy. Avoid contact with air and moisture to prevent degradation and ensure safe storage conditions.