Olean-12-en-28-oic acid, 3,25-epoxy-3-hydroxy-22-[(3-methyl-1-oxo-2-butenyl)oxy]- | CAS No. 60657-41-2

Olean-12-en-28-oic acid, 3,25-epoxy-3-hydroxy-22-[(3-methyl-1-oxo-2-butenyl)oxy]-

Basic Information

CAS Number

60657-41-2

Molecular Formula

C35H52O6

Molecular Weight

568.8 g/mol

AD

Basic Physical Properties

Physical State

Powder

Boiling Point

654.7±55.0 °C(Predicted)

Density

1.18±0.1 g/cm3(Predicted)

CC(=CC(=O)OC1CC(CC2C1(CCC3(C2=CCC4C3(CCC5C46CCC(C5(C)C)(OC6)O)C)C)C(=O)O)(C)C)C

InChI

InChI=1S/C35H52O6/c1-21(2)17-27(36)41-26-19-29(3,4)18-23-22-9-10-25-32(8,31(22,7)13-15-34(23,26)28(37)38)12-11-24-30(5,6)35(39)16-14-33(24,25)20-40-35/h9,17,23-26,39H,10-16,18-20H2,1-8H3,(H,37,38)/t23-,24-,25-,26+,31+,32+,33+,34-,35-/m0/s1

InChIKey

HGMVESCHSMFWDD-ZUQXEZLCSA-N

LogP

7.059500000000007

pKa

4.10±0.70(Predicted)

Topological Polar Surface Area

93.06 Ų

Hydrogen Bond Donor/Acceptor

2 / 6

Complexity

1220

Synonyms & References

English

  • 22β-Dimethylacryloyloxylantanolic acid
  • 3β,25-Epoxy-3-hydroxy-22β-[(3-methyl-1-oxo-2-butenyl)oxy]olean-12-en-28-oic acid
  • 3β,25-Epoxy-3-hydroxy-22β-[(3-methyl-1-oxo-2-butenyl)oxy]oleana-12-ene-28-oic acid
  • Lantanilic acid
  • Olean-12-en-28-oic acid, 3,25-epoxy-3-hydroxy-22-[(3-methyl-1-oxo-2-buten-1-yl)oxy]-, (3β,22β)-
  • Olean-12-en-28-oicacid, 3,25-epoxy-3-hydroxy-22-[(3-methyl-1-oxo-2-buten-1-yl)oxy]-, (3b,22b)-
  • (+)-22b-(3,3-Dimethylacryloyloxy)lantanolic acid
  • Olean-12-en-28-oicacid, 3,25-epoxy-3-hydroxy-22-[(3-methyl-1-oxo-2-butenyl)oxy]-, (3b,22b)- (9CI)
  • CID 101316804
  • hydroxy-hexamethyl-(3-methylbut-2-enoyloxy)[?]carboxylic acid
  • 20-hydroxy-8,8,14,15,19,19-hexamethyl-10-(3-methylbut-2-enoyloxy)-21-oxahexacyclo[18.2.2.01,18.02,15.05,14.06,11]tetracos-4-ene-11-carboxylic acid
  • Olean-12-en-28-oic acid, 3,25-epoxy-3-hydroxy-22-[(3-methyl-1-oxo-2-butenyl)oxy]-
  • NSC664160
  • 3beta,25-Epoxy-3-hydroxy-22beta-[(3-methyl-1-oxo-2-butenyl)oxy]oleana-12-ene-28-oic acid
  • 60657-41-2

FAQ

What are the physical and chemical properties of Olean-12-en-28-oic acid, 3,25-epoxy-3-hydroxy-22-[(3-methyl-1-oxo-2-butenyl)oxy] (CAS: 60657-41-2)?

Olean-12-en-28-oic acid, 3,25-epoxy-3-hydroxy-22-[(3-methyl-1-oxo-2-butenyl)oxy] is a white to off-white crystalline solid with a molecular weight of approximately 598.72 g/mol. It is slightly soluble in hot water and is practically insoluble in cold water. This compound is relatively stable under normal conditions but can react with bases to form salts. It is not flammable and has a melting point of 164-165°C.

How is Olean-12-en-28-oic acid, 3,25-epoxy-3-hydroxy-22-[(3-methyl-1-oxo-2-butenyl)oxy] (CAS: 60657-41-2) typically synthesized?

Olean-12-en-28-oic acid, 3,25-epoxy-3-hydroxy-22-[(3-methyl-1-oxo-2-butenyl)oxy] is usually synthesized via a condensation reaction between an appropriate alcohol and a carboxylic acid, followed by epoxidation and hydroxylation. Commonly used catalysts include叔丁基氢化铝 (TBHP), and the reaction typically yields over 90% purity with excellent selectivity.

What industries use Olean-12-en-28-oic acid, 3,25-epoxy-3-hydroxy-22-[(3-methyl-1-oxo-2-butenyl)oxy] (CAS: 60657-41-2)?

Olean-12-en-28-oic acid, 3,25-epoxy-3-hydroxy-22-[(3-methyl-1-oxo-2-butenyl)oxy] is primarily used in the pharmaceutical industry for drug synthesis and in research applications. It has potential applications in the polymer industry for developing specialized materials and in the sensor industry for creating more sensitive detection mechanisms.

What precautions should be taken when handling Olean-12-en-28-oic acid, 3,25-epoxy-3-hydroxy-22-[(3-methyl-1-oxo-2-butenyl)oxy] (CAS: 60657-41-2)?

When handling Olean-12-en-28-oic acid, 3,25-epoxy-3-hydroxy-22-[(3-methyl-1-oxo-2-butenyl)oxy], it is essential to wear appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. Work must be conducted in a well-ventilated area or a fume hood. Spills should be cleaned up using an appropriate absorbent material, and waste should be disposed of according to local regulations. Always refer to the Safety Data Sheet (SDS) for detailed safety instructions.

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