(3beta,5xi,8xi,9beta,17alpha,20S)-9,19-Cyclolanost-24-en-3-yl (2E)-3-(4-hydroxy-3-methoxyphenyl)acrylate | CAS No. 12738-23-7

(3beta,5xi,8xi,9beta,17alpha,20S)-9,19-Cyclolanost-24-en-3-yl (2E)-3-(4-hydroxy-3-methoxyphenyl)acrylate

Basic Information

CAS Number

12738-23-7

Molecular Formula

C40H58O4

Molecular Weight

602.9 g/mol

AD

Basic Physical Properties

CC(CCC=C(C)C)[C@H]1CC[C@@]2([C@@]1(CC[C@]34C2CCC5[C@]3(C4)CC[C@@H](C5(C)C)OC(=O)/C=C/c6ccc(c(c6)OC)O)C)C

InChI

InChI=1S/C40H58O4/c1-26(2)10-9-11-27(3)29-18-20-38(7)33-16-15-32-36(4,5)34(19-21-39(32)25-40(33,39)23-22-37(29,38)6)44-35(42)17-13-28-12-14-30(41)31(24-28)43-8/h10,12-14,17,24,27,29,32-34,41H,9,11,15-16,18-23,25H2,1-8H3/b17-13+/t27?,29-,32?,33?,34+,37-,38+,39-,40+/m1/s1

InChIKey

FODTZLFLDFKIQH-AEUNZGHWSA-N

LogP

10.147399999999994

Topological Polar Surface Area

55.760000000000005 Ų

Hydrogen Bond Donor/Acceptor

1 / 4

Synonyms & References

English

  • Oryzanol
  • gamma-Oryzanol
  • γ Oryzanol
  • Orizanol

FAQ

What are the physical and chemical properties of (3beta,5xi,8xi,9beta,17alpha,20S)-9,19-Cyclolanost-24-en-3-yl (2E)-3-(4-hydroxy-3-methoxyphenyl)acrylate (CAS: 12738-23-7)?

(3beta,5xi,8xi,9beta,17alpha,20S)-9,19-Cyclolanost-24-en-3-yl (2E)-3-(4-hydroxy-3-methoxyphenyl)acrylate is a solid with a crystalline form. Its molecular weight is approximately 464.48 g/mol. This compound is slightly soluble in organic solvents such as methanol and acetone but is virtually insoluble in water. It is reactive towards nucleophiles and can undergo esterification reactions. The compound's stability is sensitive to moisture and light.

How is (3beta,5xi,8xi,9beta,17alpha,20S)-9,19-Cyclolanost-24-en-3-yl (2E)-3-(4-hydroxy-3-methoxyphenyl)acrylate (CAS: 12738-23-7) typically synthesized?

(3beta,5xi,8xi,9beta,17alpha,20S)-9,19-Cyclolanost-24-en-3-yl (2E)-3-(4-hydroxy-3-methoxyphenyl)acrylate is typically synthesized via a multistep process involving the cyclization of a precursor compound followed by acylation. This process often employs catalytic amounts of a metal compound like palladium or a Lewis acid to enhance reactivity and selectivity. The overall yield is moderate, around 50-70%, depending on the purity of reactants and reaction conditions.

What industries use (3beta,5xi,8xi,9beta,17alpha,20S)-9,19-Cyclolanost-24-en-3-yl (2E)-3-(4-hydroxy-3-methoxyphenyl)acrylate (CAS: 12738-23-7)?

(3beta,5xi,8xi,9beta,17alpha,20S)-9,19-Cyclolanost-24-en-3-yl (2E)-3-(4-hydroxy-3-methoxyphenyl)acrylate is used in the pharmaceutical industry for the development of potential bioactive compounds. It is also applicable in the polymer industry for modifying polymer properties and in the chemical sensor industry for its sensitivity to certain chemical species. Additionally, it may be used in semiconductor applications for its unique electronic properties.

What precautions should be taken when handling (3beta,5xi,8xi,9beta,17alpha,20S)-9,19-Cyclolanost-24-en-3-yl (2E)-3-(4-hydroxy-3-methoxyphenyl)acrylate (CAS: 12738-23-7)?

Precautions for handling (3beta,5xi,8xi,9beta,17alpha,20S)-9,19-Cyclolanost-24-en-3-yl (2E)-3-(4-hydroxy-3-methoxyphenyl)acrylate include the use of personal protective equipment (PPE) such as gloves, goggles, and a lab coat. This compound should be handled in a well-ventilated area or under a fume hood to prevent inhalation. Spills should be cleaned up with appropriate absorbents, and the area should be rinsed with water. Always refer to the Safety Data Sheet (SDS) for detailed handling and disposal information. Avoid contact with eyes, skin, and clothing. Storage should be in a cool, dry place, away from heat and direct sunlight.

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