Kamebakaurin | CAS No. 73981-34-7

Kamebakaurin

Basic Information

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CAS Number

73981-34-7

Molecular Formula

C20H30O5

Molecular Weight

350.45 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

Melting Point

232-234 ºC

Density

1.30±0.1 g/cm3 (20 ºC 760 Torr),

SMILES

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CC1(CCC(C2(C1CC(C34C2CCC(C3O)C(=C)C4=O)O)CO)O)C

InChI

InChI=1S/C20H30O5/c1-10-11-4-5-12-19(9-21)13(18(2,3)7-6-14(19)22)8-15(23)20(12,16(10)24)17(11)25/h11-15,17,21-23,25H,1,4-9H2,2-3H3/t11-,12-,13+,14-,15+,17+,19-,20-/m0/s1

InChIKey

WHSUEVLJUHPROF-BIGDWJEQSA-N

LogP

1.0391999999999997

Topological Polar Surface Area

97.99 Å²

Hydrogen Bond Donor/Acceptor

4 / 5

Complexity

628

Synonyms & References

English

kamebakaurin
CHEMBL472436
Kaur-16-en-15-one, 1,7,14,20-tetrahydroxy-, (1alpha,7alpha,14R)-
WHSUEVLJUHPROF-BIGDWJEQSA-N
Kamebakaurine
73981-34-7
(1R,2R,4R,8S,9R,10S,13S,16R)-2,8,16-trihydroxy-9-(hydroxymethyl)-5,5-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecan-15-one
Kaur-16-en-15-one,1,7,14,20-tetrahydroxy-, (1a,7a,14R)-
1,7,14,20-Tetrahydroxykaur-16-en-15-one (1alpha,7alpha,14R)
Kaur-16-en-15-one,1,7,14,20-tetrahydroxy-,(1alpha,7alpha,14R)
(1R,2R,4R,8S,9R,10S,13S,16S)-2,8,16-Trihydroxy-9-(hydroxymethyl)-5,5-dimethyl-14-methylidenetetracyc
1,7,14,20-Tetrahydroxykaur-16-en-15-one
Kamebakaurin

MDL Number

MFCD04974582

FAQ

What are the physical and chemical properties of Kamebakaurin (CAS: 73981-34-7)?

Kamebakaurin is a naturally occurring triterpenoid with a molecular weight of approximately 504.6 g/mol. It has a crystalline form and is poorly soluble in water but soluble in organic solvents like methanol and ethyl acetate. Chemically, it exhibits moderate stability under acidic conditions and is reactive towards oxidizing agents.

How is Kamebakaurin (CAS: 73981-34-7) typically synthesized?

Kamebakaurin is often synthesized via a semi-synthetic route starting from kaur-16-en-19-oic acid. Common methods include chemical derivatization and enzymatic transformations. The synthesis involves multiple steps, including esterification, reduction, and condensation reactions, with yields typically ranging from 50% to 70%.

What industries use Kamebakaurin (CAS: 73981-34-7)?

Kamebakaurin finds applications in the pharmaceutical industry due to its potential anti-inflammatory and anti-tumor properties. It is also explored in sensor technology for its unique spectral characteristics and can be used in the development of new materials for semiconductors and polymers.

What precautions should be taken when handling Kamebakaurin (CAS: 73981-34-7)?

When handling Kamebakaurin, it is essential to use personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood. Spills should be cleaned up using appropriate absorbents, and the area should be thoroughly rinsed. Always refer to the Safety Data Sheet (SDS) for detailed handling and disposal instructions.