(3S,4aR,6aR,8aR,12aR,12bS,14aR,14bR)-4,4,6a,8a,11,11,12b,14b-Octamethyl-1,2,3,4,4a,5,6,6a,8,8a,9,10,11,12,12a,12b,13,14,14a,14b-icosahydro-3-picenyl acetate | CAS No. 2189-80-2

(3S,4aR,6aR,8aR,12aR,12bS,14aR,14bR)-4,4,6a,8a,11,11,12b,14b-Octamethyl-1,2,3,4,4a,5,6,6a,8,8a,9,10,11,12,12a,12b,13,14,14a,14b-icosahydro-3-picenyl acetate

Basic Information

CAS Number

2189-80-2

Molecular Formula

C32H52O2

Molecular Weight

468.77 g/mol

AD

Basic Physical Properties

Physical State

Powder

Melting Point

303-305 ºC

CC(=O)OC1CCC2(C(C1(C)C)CCC3(C2CCC4(C3=CCC5(C4CC(CC5)(C)C)C)C)C)C

InChI

InChI=1S/C32H52O2/c1-21(33)34-26-13-17-30(7)22(28(26,4)5)11-15-31(8)23-10-14-29(6)19-18-27(2,3)20-25(29)32(23,9)16-12-24(30)31/h10,22,24-26H,11-20H2,1-9H3/t22-,24+,25+,26-,29-,30-,31-,32+/m0/s1

InChIKey

YWJGYBXHXATAQY-BOTWUFHUSA-N

LogP

8.739700000000004

Topological Polar Surface Area

26.3 Ų

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

897

Synonyms & References

English

  • D-Friedoolean-14-en-3-ol, acetate, (3beta)-
  • Taraxerylacetate
  • 1ST156749
  • D-Friedoolean-14-en-3beta-yl acetate
  • HY-N2599
  • DTXSID70944487
  • CS-0022976
  • SCHEMBL23929102
  • FS-9579
  • Taraxerol acetate
  • AC-35012
  • [(3S,4aR,6aR,6aS,8aR,12aR,14aR,14bR)-4,4,6a,6a,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,8,9,10,12,12a,13,14,14a-tetradecahydropicen-3-yl] acetate
  • D-Friedoolean-14-en-3beta-ol acetate
  • AKOS030573650
  • Friedoolean-14-en-3-yl acetate
  • 4,4,6a,8a,11,11,12b,14b-Octamethyl-1,2,3,4,4a,5,6,6a,8,8a,9,10,11,12,12a,12b,13,14,14a,14b-icosahydropicen-3-yl acetate
  • 2189-80-2
  • Taraxenol acetate
  • Taraxeryl acetate
  • 27-Norolean-14-en-3-ol,13-methyl-, 3-acetate, (3b,13a)-
  • taraxerol acetate
  • Acetyl taraxerol
  • Taraxerol monoacetate
  • (3beta,13alpha)-13-Methyl-27-norolean-14-en-3-ol 3-acetate
  • [ "Taraxerol acetate" ]
  • taraxerolacetate

MDL Number

MFCD09953818

FAQ

What are the physical and chemical properties of (3S,4aR,6aR,8aR,12aR,12bS,12bR,14aR,14bR)-4,4,6a,8a,11,11,12b,14b-Octamethyl-1,2,3,4,4a,5,6,6a,8,8a,9,10,11,12,12a,12b,13,14,14a,14b-icosahydro-3-picenyl acetate (CAS: 2189-80-2)?

This compound is a complex organic molecule with a high molecular weight. It is typically crystalline at room temperature and has a low solubility in water but is soluble in organic solvents like chloroform and acetone. Chemically, it is relatively stable under normal conditions but can react with strong acids or bases. This compound is used in various applications due to its unique molecular structure.

How is (3S,4aR,6aR,8aR,12aR,12bS,12bR,14aR,14bR)-4,4,6a,8a,11,11,12b,14b-Octamethyl-1,2,3,4,4a,5,6,6a,8,8a,9,10,11,12,12a,12b,13,14,14a,14b-icosahydro-3-picenyl acetate (CAS: 2189-80-2) typically synthesized?

This compound is synthesized through a series of complex multi-step reactions involving alkylation and esterification. Common catalysts include organometallic compounds. The yield and selectivity are typically optimized through careful control of reaction conditions and choice of reagents.

What industries use (3S,4aR,6aR,8aR,12aR,12bS,12bR,14aR,14bR)-4,4,6a,8a,11,11,12b,14b-Octamethyl-1,2,3,4,4a,5,6,6a,8,8a,9,10,11,12,12a,12b,13,14,14a,14b-icosahydro-3-picenyl acetate (CAS: 2189-80-2)?

This compound is used in the pharmaceutical and polymer industries for its unique molecular structure. It also finds applications in sensors and semiconductors due to its optical and electronic properties.

What precautions should be taken when handling (3S,4aR,6aR,8aR,12aR,12bS,12bR,14aR,14bR)-4,4,6a,8a,11,11,12b,14b-Octamethyl-1,2,3,4,4a,5,6,6a,8,8a,9,10,11,12,12a,12b,13,14,14a,14b-icosahydro-3-picenyl acetate (CAS: 2189-80-2)?

When handling this compound, it is recommended to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or fume hood. In case of a spill, use absorbent materials to contain the spill and dispose of them according to local regulations. Always refer to the Safety Data Sheet (SDS) for detailed handling instructions.

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