7-Hydroxy-3,15-dioxokaur-16-en-14-yl acetate

Basic Information

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CAS Number

80508-81-2

Molecular Formula

C22H30O5

Molecular Weight

374.48 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Fine Chemicals Surfactants Anionic Surfactants

Polymers and Plastics Thermoplastics Polyolefins

Basic Physical Properties

Physical State

Powder

Melting Point

190.5-191 ºC

Density

1.21±0.1 g/cm3 (20 ºC 760 Torr),

SMILES

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CC(O[C@H]1[C@@]([C@H](O)C[C@]2([H])C3(C)C)(C(C([C@]1([H])CC4)=C)=O)[C@]4([H])[C@]2(C)CCC3=O)=O

InChI

InChI=1S/C22H30O5/c1-11-13-6-7-14-21(5)9-8-16(24)20(3,4)15(21)10-17(25)22(14,18(11)26)19(13)27-12(2)23/h13-15,17,19,25H,1,6-10H2,2-5H3/t13-,14-,15+,17+,19+,21-,22-/m0/s1

InChIKey

LSUXOKVMORWDLT-KEXKRWMXSA-N

LogP

2.8458000000000014

Topological Polar Surface Area

80.67 Å²

Hydrogen Bond Donor/Acceptor

1 / 5

Complexity

752

Safety Information

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Storage Conditions

N/A

Synonyms & References

English

glaucocalyxin B
Kaur-16-ene-3,15-dione,14-(acetyloxy)-7- hydroxy-,(7R,14R)-
14beta-Acetoxy-7alpha-hydroxy-ent-kaur-16-ene-3,15-dione
Wangzaozin C
[(1R,4S,9R,10R,13R)-2-Hydroxy-5,5,9-trimethyl-14-methylidene-6,15-dioxo-16-tetracyclo[11.2.1.01,10.0
[(1R,4S,9R,10S)-2-hydroxy-5,5,9-trimethyl-14-methylidene-6,15-dioxo-16-tetracyclo[11.2.1.01,10.04,9]
Glaucocalyxin B

MDL Number

MFCD28144511

FAQ

What are the physical and chemical properties of 7-Hydroxy-3,15-dioxokaur-16-en-14-yl acetate (CAS: 80508-81-2)?

7-Hydroxy-3,15-dioxokaur-16-en-14-yl acetate is a crystalline compound with a molecular weight of approximately 436 g/mol. It is slightly soluble in common organic solvents like methanol and ethanol. The compound exhibits moderate reactivity, particularly towards nucleophilic addition and oxidation reactions. It is stable under normal conditions but should be handled with care due to its chemical reactivity.

How is 7-Hydroxy-3,15-dioxokaur-16-en-14-yl acetate (CAS: 80508-81-2) typically synthesized?

7-Hydroxy-3,15-dioxokaur-16-en-14-yl acetate is typically synthesized by a series of reactions, including Wittig olefination and acetylation. The reaction involves the use of a Wittig reagent and acetic anhydride as the acetylating agent. The synthesis provides good yields and high selectivity, making it a practical method for producing the compound in laboratories and small-scale industries.

What industries use 7-Hydroxy-3,15-dioxokaur-16-en-14-yl acetate (CAS: 80508-81-2)?

7-Hydroxy-3,15-dioxokaur-16-en-14-yl acetate is primarily used in pharmaceuticals for the development of specialized drugs. It also has potential applications in the production of certain polymers and as a precursor in the chemical industry. Its unique chemical properties also make it suitable for use in sensor technology and semiconductor manufacturing.

What precautions should be taken when handling 7-Hydroxy-3,15-dioxokaur-16-en-14-yl acetate (CAS: 80508-81-2)?

When handling 7-Hydroxy-3,15-dioxokaur-16-en-14-yl acetate, it is crucial to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated fume hood to minimize exposure to the compound. Spills should be cleaned up immediately using appropriate absorbent materials. Always refer to the Material Safety Data Sheet (MSDS) for specific safety guidelines and emergency procedures.