(3beta,18alpha,19alpha)-Urs-20(30)-en-3-yl acetate

Basic Information

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CAS Number

6426-43-3

Molecular Formula

C32H52O2

Molecular Weight

468.77 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

Fine Chemicals Surfactants Anionic Surfactants

Polymers and Plastics Thermoplastics Polyolefins

Basic Physical Properties

Physical State

Powder

Boiling Point

502.788 °C at 760 mmHg

Density

1.016

Flash Point

502.788 °C at 760 mmHg

Solubility

N/A

Refractive Index

1.525

SMILES

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CC1C2C3CCC4C5(CCC(C(C5CCC4(C3(CCC2(CCC1=C)C)C)C)(C)C)OC(=O)C)C

InChI

InChI=1S/C32H52O2/c1-20-12-15-29(6)18-19-31(8)23(27(29)21(20)2)10-11-25-30(7)16-14-26(34-22(3)33)28(4,5)24(30)13-17-32(25,31)9/h21,23-27H,1,10-19H2,2-9H3/t21-,23-,24+,25-,26+,27-,29-,30+,31-,32-/m1/s1

InChIKey

SFEUTIOWNUGQMZ-ZHLOSDGBSA-N

LogP

8.595600000000006

Topological Polar Surface Area

26.3 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

872

Safety Information

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Storage Conditions

2-8℃

Synonyms & References

English

MFCD01861510
Taraxasterol acetate
[(3S,4aR,6aR,6aR,6bR,8aR,12S,12aR,14aR,14bR)-4,4,6a,6b,8a,12,14b-heptamethyl-11-methylene-1,2,3,4a,5,6,6a,7,8,9,10,12,12a,13,14,14a-hexadecahydropicen-3-yl] acetate
Urs-20(3)-en-3-ol, acetate
Urs-20(30)-en-3-ol acetate
AKOS037514855
NSC 401400
SCHEMBL23929098
Q27135905
MS-28663
Taraxasteryl acetate
TARAXASTEROL ACETATE [MI]
(.BETA.,18.ALPHA.,19.ALPHA.)-URS-20(30)-EN-3-OL, ACETATE
Urs-20(30)-en-3-ol, acetate, (3.beta.,18.alpha.,19.alpha.)-
HY-N2478
AC-34566
9F07Z33516
CHEBI:67438
NSC-401400
CHEMBL1796000
[(3S,4aR,6aR,6aR,6bR,8aR,12S,12aR,14aR,14bR)-4,4,6a,6b,8a,12,14b-heptamethyl-11-methylidene-1,2,3,4a,5,6,6a,7,8,9,10,12,12a,13,14,14a-hexadecahydropicen-3-yl] acetate
LACTUCEROL ACETATE
CS-0022749
UNII-9F07Z33516
SAUSSUROL ACETATE
6426-43-3
.ALPHA.-LACTUCEROL ACETATE
taraxasterol acetate
Lactucerin
Lactucone
[(4Ar,6aS,6aR,6bR,8aR,12aS,14aS,14bR)-4,4,6a,6b,8a,12,14b-heptamethyl-11-methylidene-1,2,3,4a,5,6,6a

MDL Number

MFCD01861510

FAQ

What are the physical and chemical properties of (3beta,18alpha,19alpha)-Urs-20(30)-en-3-yl acetate (CAS: 6426-43-3)?

(3beta,18alpha,19alpha)-Urs-20(30)-en-3-yl acetate is a solids with a crystalline form. It has a molecular weight of approximately 410.49 g/mol and a melting point around 60-62°C. This compound is poorly soluble in water but soluble in common organic solvents like ethanol and acetone. It is stable under normal conditions but may react with strong bases. It is often used in pharmaceutical and natural product chemistry due to its stability and reactivity.

How is (3beta,18alpha,19alpha)-Urs-20(30)-en-3-yl acetate (CAS: 6426-43-3) typically synthesized?

(3beta,18alpha,19alpha)-Urs-20(30)-en-3-yl acetate is usually synthesized from ursolic acid through esterification with acetic anhydride in the presence of a catalyst like concentrated sulfuric acid. The reaction is typically carried out at room temperature, yielding a product with high selectivity and good yield. This method is widely used in the chemical industry for preparing similar compounds.

What industries use (3beta,18alpha,19alpha)-Urs-20(30)-en-3-yl acetate (CAS: 6426-43-3)?

(3beta,18alpha,19alpha)-Urs-20(30)-en-3-yl acetate is primarily used in the pharmaceutical and natural product industries. It is also utilized in the production of certain polymers, sensors, and semiconductors due to its chemical properties and structural characteristics. Its use in these industries highlights its versatility and importance in modern chemical applications.

What precautions should be taken when handling (3beta,18alpha,19alpha)-Urs-20(30)-en-3-yl acetate (CAS: 6426-43-3)?

When handling (3beta,18alpha,19alpha)-Urs-20(30)-en-3-yl acetate, it is important to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a fume hood to minimize exposure. Spills should be cleaned up promptly using appropriate absorbent materials. In case of contact with skin or eyes, immediately flush with water and seek medical attention. Always refer to the Safety Data Sheet (SDS) for detailed handling and emergency procedures.