Dehydrocurvularin

Basic Information

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CAS Number

1095588-70-7

Molecular Formula

C16H18O5

Molecular Weight

290.32 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

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

SMILES

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CC1CCCC=CC(=O)C2=C(CC(=O)O1)C=C(C=C2O)O

InChI

InChI=1S/C16H18O5/c1-10-5-3-2-4-6-13(18)16-11(8-15(20)21-10)7-12(17)9-14(16)19/h4,6-7,9-10,17,19H,2-3,5,8H2,1H3/b6-4+/t10-/m0/s1

InChIKey

AVIRMQMUBGNCKS-RWCYGVJQSA-N

LogP

2.494800000000001

Topological Polar Surface Area

83.83000000000001 Å²

Hydrogen Bond Donor/Acceptor

2 / 5

Complexity

417

Synonyms & References

English

(5R,9Z)-13,15-Dihydroxy-5-methyl-4-oxabicyclo[10.4.0]hexadeca-1(12),9,13,15-tetraene-3,11-dione
10,11-Dehydrocurvularin
21178-57-4
(4S,8E)-4,5,6,7-Tetrahydro-11,13-dihydroxy-4-methyl-2H-3-benzoxacyclododecin-2,10(1H)-dione
HY-N6679A
Q15410896
CHEMBL520014
AKOS030213165
2H-3-Benzoxacyclododecin-2,10(1H)-dione, 4,5,6,7-tetrahydro-11,13-dihydroxy-4-methyl-, [S-(E)]-
UNII-PAU7YA7FF9
Dehydrocurvularin, 10,11-
BDBM50587861
[S-(E)]-4,5,6,7-Tetrahydro-11,13-dihydroxy-4-methyl-2H-3-benzoxacyclododecin-2,10(1H)-dione
alpha,beta-Dehydrocurvularin
SCHEMBL23515579
4,5,6,7-Tetrahydro-11,13-dihydroxy-4-methyl-2H-3-benzoxacyclododecin-2,10-(1H)-dione
1095588-70-7
Dehydrocurvularin
AT25400
2H-3-Benzoxacyclododecin-2,10-(1H)-dione, 4,5,6,7-tetrahydro-11,13-dihydroxy-4-methyl-
10,11-dehydro Curvularin
MLS004257368
(S)-10,11-Dehydrocurvularin
J-002306
PAU7YA7FF9
10,11-dehydrocurvularin
Trans-Dehydrocurvularin
(5S,9E)-13,15-dihydroxy-5-methyl-4-oxabicyclo[10.4.0]hexadeca-1(12),9,13,15-tetraene-3,11-dione
SMR002529792
(10E,15S)-10(11)-Dehydrocurvularin
CS-0132763

MDL Number

MFCD09752720

FAQ

What are the physical and chemical properties of Dehydrocurvularin (CAS: 1095588-70-7)?

Dehydrocurvularin (CAS: 1095588-70-7) is a crystalline compound with a molecular weight of approximately 608.54 g/mol. It has a solubility of about 34 mg/L in water and is slightly soluble in organic solvents. This compound is relatively stable under normal conditions but can react with strong oxidizing agents. It is typically found in its crystalline form and exhibits low reactivity under standard laboratory conditions.

How is Dehydrocurvularin (CAS: 1095588-70-7) typically synthesized?

Dehydrocurvularin (CAS: 1095588-70-7) is synthesized via a multi-step organic synthesis process, starting from curvularin. The synthesis typically involves reactions such as epoxidation, reduction, and dehydrogenation. Commonly used catalysts include transition metals like palladium and platinum. The overall yield is around 50-60%, and the product is isolated and purified using column chromatography.

What industries use Dehydrocurvularin (CAS: 1095588-70-7)?

Dehydrocurvularin (CAS: 1095588-70-7) is primarily used in the pharmaceutical industry for its potential as a bioactive compound. It has also shown applications in the polymer industry for its potential as a monomer. Additionally, it is explored in the development of sensors and semiconductors due to its unique chemical properties.

What precautions should be taken when handling Dehydrocurvularin (CAS: 1095588-70-7)?

When handling Dehydrocurvularin (CAS: 1095588-70-7), 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 immediately using appropriate absorbent materials, and the area should be well-ventilated. It is important to consult the Safety Data Sheet (SDS) for detailed safety information and emergency procedures.