Methyl (11beta,12alpha,13beta,15beta)-3,11,12-trihydroxy-15-[(3-methylbutanoyl)oxy]-2,16-dioxo-13,20-epoxypicras-3-en-21-oate

Basic Information

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CAS Number

25514-31-2

Molecular Formula

C26H34O11

Molecular Weight

522.55 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

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 Surfactants Anionic Surfactants

Polymers and Plastics Thermoplastics Polyolefins

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Physical State

Powder

SMILES

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CC1=C(C(=O)CC2(C1CC3C45C2C(C(C(C4C(C(=O)O3)OC(=O)CC(C)C)(OC5)C(=O)OC)O)O)C)O

InChI

InChI=1S/C26H34O11/c1-10(2)6-15(28)37-18-20-25-9-35-26(20,23(33)34-5)21(31)17(30)19(25)24(4)8-13(27)16(29)11(3)12(24)7-14(25)36-22(18)32/h10,12,14,17-21,29-31H,6-9H2,1-5H3/t12-,14+,17+,18+,19+,20+,21-,24-,25+,26-/m0/s1

InChIKey

LPZSTPCYWWRQFU-VILODJCFSA-N

LogP

0.5969000000000015

Topological Polar Surface Area

165.89000000000001 Å²

Hydrogen Bond Donor/Acceptor

3 / 11

Complexity

1100

Safety Information

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Storage Conditions

2-8℃

Synonyms & References

English

AKOS030526754
Bruceantin A
BRUCEIN A
Picras-3-en-21-oic acid,20-epoxy-3,11,12-trihydroxy-15-(3-methyl-1-oxobutoxy)-2,16-dioxo-, methyl ester, (11.beta.,12.alpha.,15.beta.)-
NSC-310616
Isobruceine A
NSC310616
NSC 310616
CHEMBL250451
MS-29680
CHEBI:189511
methyl (1R,2S,3R,6R,8R,13S,14R,15R,16S,17S)-10,15,16-trihydroxy-9,13-dimethyl-3-(3-methylbutanoyloxy)-4,11-dioxo-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylate
SCHEMBL5928607
DTXSID901318520
25514-31-2
Bruceine A
HY-N0841
Picras-3-en-21-oic acid, 13,20-epoxy-3,11,12-trihydroxy-15-(3-methyl-1-oxobutoxy)-2,16-dioxo-, methyl ester, (11beta,12alpha,15beta)-
MFCD28167765
Dihydrobrusatol
bruceine A
Picras-3-en-21-oicacid, 13,20-epoxy-3,11,12-trihydroxy-15-(3-methyl-1-oxobutoxy)-2,16-dioxo-,methyl ester, (11b,12a,15b)-
Picras-3-en-21-oicacid, 13,20-epoxy-3,11,12-trihydroxy-15-(3-methyl-1-oxobutoxy)-2,16-dioxo-,m...
22,23-dihydrobrusatol
BruceineA
BCP10095
Dihydrobrusatol,NSC 310616

MDL Number

MFCD28167765

FAQ

What is Methyl (11beta,12alpha,13beta,15beta)-3,11,12-trihydroxy-15-[(3-methylbutanoyl)oxy]-2,16-dioxo-13,20-epoxypicras-3-en-21-oate (CAS: 25514-31-2)?

Methyl (11beta,12alpha,13beta,15beta)-3,11,12-trihydroxy-15-[(3-methylbutanoyl)oxy]-2,16-dioxo-13,20-epoxypicras-3-en-21-oate is a complex organic compound with a unique structure. It is primarily used in pharmaceutical research and development due to its specific chemical properties. This compound is characterized by its hydroxy and ester functional groups, making it a valuable reagent in organic synthesis.

What are the main uses of Methyl (11beta,12alpha,13beta,15beta)-3,11,12-trihydroxy-15-[(3-methylbutanoyl)oxy]-2,16-dioxo-13,20-epoxypicras-3-en-21-oate (CAS: 25514-31-2)?

The main uses of Methyl (11beta,12alpha,13beta,15beta)-3,11,12-trihydroxy-15-[(3-methylbutanoyl)oxy]-2,16-dioxo-13,20-epoxypicras-3-en-21-oate include its application in pharmaceutical research, where it serves as a key intermediate for synthesizing other compounds with specific pharmacological activities. It is also used in organic synthesis for its unique chemical properties.

Is Methyl (11beta,12alpha,13beta,15beta)-3,11,12-trihydroxy-15-[(3-methylbutanoyl)oxy]-2,16-dioxo-13,20-epoxypicras-3-en-21-oate (CAS: 25514-31-2) safe?

While Methyl (11beta,12alpha,13beta,15beta)-3,11,12-trihydroxy-15-[(3-methylbutanoyl)oxy]-2,16-dioxo-13,20-epoxypicras-3-en-21-oate is generally safe when handled with proper precautions, it is important to follow safety guidelines. Always wear appropriate personal protective equipment, such as gloves and goggles. Avoid contact with skin and eyes. Store in a cool, dry place away from direct sunlight.

How should Methyl (11beta,12alpha,13beta,15beta)-3,11,12-trihydroxy-15-[(3-methylbutanoyl)oxy]-2,16-dioxo-13,20-epoxypicras-3-en-21-oate (CAS: 25514-31-2) be stored?

Methyl (11beta,12alpha,13beta,15beta)-3,11,12-trihydroxy-15-[(3-methylbutanoyl)oxy]-2,16-dioxo-13,20-epoxypicras-3-en-21-oate should be stored in a cool, dry place, protected from direct sunlight and moisture. Keep it in a tightly sealed container to prevent degradation. Store away from sources of heat and ignition. Maintain a temperature below 25°C (room temperature) to ensure stability and safety.