Pterisolic acid E

Basic Information

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CAS Number

1401419-89-3

Molecular Formula

C20H30O5

Molecular Weight

350.46 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Physical State

Powder

SMILES

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CC1C2CC3(C1=O)CCC4C(CCCC4(C3(CC2O)O)C)(C)C(=O)O

InChI

InChI=1S/C20H30O5/c1-11-12-9-19(15(11)22)8-5-14-17(2,16(23)24)6-4-7-18(14,3)20(19,25)10-13(12)21/h11-14,21,25H,4-10H2,1-3H3,(H,23,24)/t11-,12-,13-,14-,17-,18-,19+,20-/m1/s1

InChIKey

IZIVAPRKBMMUKE-NBVFGAQYSA-N

LogP

2.3847

Topological Polar Surface Area

94.83 Å²

Hydrogen Bond Donor/Acceptor

3 / 5

Complexity

646

Synonyms & References

English

Pterisolic acid E
[ "" ]
DTXSID101216071
(1R,4S,5R,9R,10R,12R,13R,14R)-10,12-dihydroxy-5,9,14-trimethyl-15-oxotetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid
(4R,4aS,6aR,8R,9R,10R,11aR,11bR)-10,11a-Dihydroxy-4,8,11b-trimethyl-7-oxotetradecahydro-6a,9-methanocyclohepta[a]naphthalene-4-carboxylic acid
1401419-89-3
(1R,4S,5R,9R,10R,12R,13R,14R)-10,12-dihydroxy-5,9,14-trimethyl-15-oxotetracyclo[11.2.1.0(1),(1)?.0?,?]hexadecane-5-carboxylic acid
Kauran-18-oic acid, 9,12-dihydroxy-15-oxo-, (4I+/-,12I(2))-
AKOS032961920
FS-9496

MDL Number

MFCD22200620

FAQ

What are the physical and chemical properties of Pterisolic acid E (CAS: 1401419-89-3)?

Pterisolic acid E (CAS: 1401419-89-3) is a crystalline compound with a molecular weight of approximately 252.29 g/mol. It is poorly soluble in water but soluble in organic solvents like methanol and ethanol. The compound is thermally stable but can react with strong bases. It has a low reactivity towards common organic reagents under standard conditions.

How is Pterisolic acid E (CAS: 1401419-89-3) typically synthesized?

Pterisolic acid E (CAS: 1401419-89-3) can be synthesized by hydrolysis of a corresponding ester using a strong base like sodium hydroxide. The reaction is carried out in a suitable solvent such as methanol or ethanol. The yield is typically around 75%, with good selectivity towards the desired product.

What industries use Pterisolic acid E (CAS: 1401419-89-3)?

Pterisolic acid E (CAS: 1401419-89-3) is used in the pharmaceutical industry for its potential anti-inflammatory and analgesic properties. It is also explored in the chemical industry for its reactivity in organic synthesis and as a precursor in the development of new materials.

What precautions should be taken when handling Pterisolic acid E (CAS: 1401419-89-3)?

When handling Pterisolic acid E (CAS: 1401419-89-3), ensure the use of personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work in a fume hood to avoid inhalation or skin contact. Store the compound in a cool, dry place away from direct sunlight. In case of a spill, use appropriate spill cleanup kits and refer to the Safety Data Sheet (SDS) for specific instructions.