(1S,4S,8R,9R,12S,13S,14R,16S)-9,14-Dihydroxy-7,7-dimethyl-17-methylene-3,10-dioxapentacyclo[14.2.1.0~1,13~.0~4,12~.0~8,12~]nonadecane-2,18-dione | CAS No. 10391-09-0

(1S,4S,8R,9R,12S,13S,14R,16S)-9,14-Dihydroxy-7,7-dimethyl-17-methylene-3,10-dioxapentacyclo[14.2.1.0~1,13~.0~4,12~.0~8,12~]nonadecane-2,18-dione

Basic Information

CAS Number

10391-09-0

Molecular Formula

C20H26O6

Molecular Weight

362.42 g/mol

AD

Basic Physical Properties

Physical State

Powder

CC1(CCC2C3(C1C(OC3)O)C4C(CC5CC4(C(=O)C5=C)C(=O)O2)O)C

InChI

InChI=1S/C20H26O6/c1-9-10-6-11(21)13-19(7-10,15(9)22)17(24)26-12-4-5-18(2,3)14-16(23)25-8-20(12,13)14/h10-14,16,21,23H,1,4-8H2,2-3H3/t10-,11-,12+,13-,14-,16-,19+,20+/m1/s1

InChIKey

WZYJEEIAFBHYJS-SONIPUFESA-N

LogP

1.1953999999999998

Topological Polar Surface Area

93.06 Ų

Hydrogen Bond Donor/Acceptor

2 / 6

Complexity

728

Synonyms & References

English

  • 10391-09-0
  • 11-Deacetylsinuolatin E; NSC 285659; Nodosin (terpene)
  • MS-25755
  • CHEBI:70379
  • AKOS032962396
  • (1S,4S,8R,9R,12S,13S,14R,16S)-9,14-dihydroxy-7,7-dimethyl-17-methylidene-3,10-dioxapentacyclo[14.2.1.01,13.04,12.08,12]nonadecane-2,18-dione
  • F92771
  • CHEMBL510160
  • HY-N3181
  • NODOSIN
  • CS-0023521
  • Q27138718
  • Enmein,13-deoxy-5-hydroxy-, (5b)-
  • [ "" ]

MDL Number

MFCD20261062

FAQ

What are the physical and chemical properties of (1S,4S,8R,9R,12S,13S,14R,16S)-9,14-Dihydroxy-7,7-dimethyl-17-methylene-3,10-dioxapentacyclo[14.2.1.0~1,13~.0~4,12~.0~8,12~]nonadecane-2,18-dione (CAS: 10391-09-0)?

The compound is a solid at room temperature with a high melting point. Its molecular weight is approximately 424.44 g/mol. It has very low solubility in water but is soluble in organic solvents like methanol and ethanol. It is reactive towards nucleophiles and can undergo various types of organic transformations. The compound is not flammable and has a low volatility. It is stable under normal storage conditions and has limited reactivity in most common experimental conditions.

How is (1S,4S,8R,9R,12S,13S,14R,16S)-9,14-Dihydroxy-7,7-dimethyl-17-methylene-3,10-dioxapentacyclo[14.2.1.0~1,13~.0~4,12~.0~8,12~]nonadecane-2,18-dione (CAS: 10391-09-0) typically synthesized?

The compound can be synthesized via a multistep process involving Diels-Alder reactions, Wittig reactions, and intramolecular cyclizations. Key reagents include methyl vinyl ketone, triphenylphosphine, and appropriate alkenes. The synthetic route involves the use of transition metal catalysts to enhance reactivity and control the stereochemistry. The overall yield can be improved by optimizing reaction conditions and protecting groups.

What industries use (1S,4S,8R,9R,12S,13S,14R,16S)-9,14-Dihydroxy-7,7-dimethyl-17-methylene-3,10-dioxapentacyclo[14.2.1.0~1,13~.0~4,12~.0~8,12~]nonadecane-2,18-dione (CAS: 10391-09-0)?

This compound is primarily used in the pharmaceutical industry for the development of novel therapeutic agents. It also has applications in the polymer industry, where it can be used as a monomer or in the synthesis of biodegradable polymers. Additionally, it has potential uses in the production of sensors and semiconductors due to its unique chemical structure and reactivity.

What precautions should be taken when handling (1S,4S,8R,9R,12S,13S,14R,16S)-9,14-Dihydroxy-7,7-dimethyl-17-methylene-3,10-dioxapentacyclo[14.2.1.0~1,13~.0~4,12~.0~8,12~]nonadecane-2,18-dione (CAS: 10391-09-0)?

Proper personal protective equipment (PPE) should be worn, including gloves, goggles, and a lab coat. Handling should be conducted in a well-ventilated area or under a fume hood. Spills should be cleaned up immediately using appropriate absorbents and disposed of according to local waste management regulations. An SDS (Safety Data Sheet) should be consulted for detailed safety information and emergency procedures. The compound is not particularly hazardous, but care should be taken to avoid skin contact and inhalation of dust or fumes.

Related Compounds

You might also like

Compound Q&A

What is 6-Methyl-7-oxabicyclo[4.1.0]heptan-2-one (CAS: 21889-89-4)?

6-Methyl-7-oxabicyclo[4.1.0]heptan-2-one is a cyclic ketone with a molecular for...

21889-89-46-Methyl-7-oxabicycl...
Compound Q&A

What is 4-[(6-Methyl-2-pyrazinyl)oxy]benzoic acid (CAS: 906353-00-2)?

4-[(6-Methyl-2-pyrazinyl)oxy]benzoic acid is a chemical compound with the CAS nu...

906353-00-24-[(6-Methyl-2-pyraz...
Compound Q&A

What is 2-(2-Pyridinyl)-1,3-propanediol (CAS: 49745-42-8)?

2-(2-Pyridinyl)-1,3-propanediol (CAS: 49745-42-8) is a colorless to slightly yel...

49745-42-82-(2-Pyridinyl)-1,3-...
Compound Q&A

What is 2-(6-Chloro-2-pyridinyl)-2-phenylacetonitrile (CAS: 24783-42-4)?

2-(6-Chloro-2-pyridinyl)-2-phenylacetonitrile is an organic compound with the CA...

24783-42-42-(6-Chloro-2-pyridi...
Compound Q&A

What is 2-Oxopropanamide (CAS: 631-66-3)?

2-Oxopropanamide, also known as 2-aminoacrylic acid, is a chemical compound with...

631-66-32-Oxopropanamide
Compound Q&A

What is 2-Methyl-2-propanyl 4-(5-bromo-6-methyl-2-pyridinyl)-1-piperazinecarboxylate (CAS: 1289040-88-5)?

2-Methyl-2-propanyl 4-(5-bromo-6-methyl-2-pyridinyl)-1-piperazinecarboxylate (CA...

1289040-88-52-Methyl-2-propanyl ...
Compound Q&A

What is NAMPT inhibitor-linker 1 (CAS: 2241019-57-6)?

NAMPT inhibitor-linker 1 (CAS: 2241019-57-6) is a chemical compound designed as ...

2241019-57-6NAMPT inhibitor-link...
Compound Q&A

What is (2-(2,2,2-Trifluoroacetyl)pyridin-4-yl)boronic acid (CAS: 1310404-58-0)?

It is a chemical compound with the structure (2-(2,2,2-Trifluoroacetyl)pyridin-4...

1310404-58-0(2-(2,2,2-Trifluoroa...
Compound Q&A

What is 1-(2-Chlorophenyl)-6-(3,3,3-trifluoro-2-methylpropyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one (CAS: 794568-90-4)?

1-(2-Chlorophenyl)-6-(3,3,3-trifluoro-2-methylpropyl)-1,5-dihydro-4H-pyrazolo[3,...

794568-90-41-(2-Chlorophenyl)-6...
Compound Q&A

What is Vinyl(chloromethyl)dimethoxysilane (CAS: 1314981-48-0)?

Vinyl(chloromethyl)dimethoxysilane is an organosilicon compound with the molecul...

1314981-48-0Vinyl(chloromethyl)d...