4,10-diacetyl-11,13-dihydroxy-2,12-dimethyl-8-oxatricyclo[7.4.0.0,2,7]trideca-1(9),6,10,12-tetraene-3,5-dione

Basic Information

View in Editor

CAS Number

125-46-2

Molecular Formula

C18H16O7

Molecular Weight

344.32 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 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

Melting Point

200°C

Boiling Point

605.4°C at 760 mmHg

Solubility

Solubility at 25 °C (g/100 ml): acetone, 0.77; ethyl acetate, 0.88; fural, 7.32; furfuryl alcohol, 1.21

Refractive Index

495 ° (C=0.7, CHCl3)

Specific Rotation

D16 +509.4° (c = 0.697 in chloroform)

SMILES

View in Editor

CC(=O)C1C(=O)C=C2Oc3c(c(O)c(C)c(O)c3C(=O)C)C2(C)C1=O

InChI

InChI=1S/C18H16O7/c1-6-14(22)12(8(3)20)16-13(15(6)23)18(4)10(25-16)5-9(21)11(7(2)19)17(18)24/h5,11,22-23H,1-4H3

InChIKey

CUCUKLJLRRAKFN-UHFFFAOYSA-N

LogP

1.4998199999999997

Topological Polar Surface Area

117.97 Å²

Hydrogen Bond Donor/Acceptor

2 / 7

Complexity

708

Safety Information

View Safety Information

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Storage Conditions

2-8℃

Toxicity

LD50 i.v. in mice: 25 mg/kg (Gottlieb, Shaw)

Synonyms & References

English

Usnic acid
2,6-Diacetyl-7,9-dihydroxy-8,9b-dimethyl-9bH-dibenzofuran-1,3-dione
2,6-diacetyl-7,9-dihydroxy-8,9b-dimethyldibenzofuran-1,3-dione
9bh)-dibenzofurandione, 2,6-diacetyl-7,9-dihydroxy-8,9b-dimethyl-3(2h
(+-)-uanic acid
usno
Usnic
USNEIN
USNIACIN
UNSICACID
Usnea acid
usninsaeure
USNINIC ACID
(+-)-uanicacid
(+/-)-Usnicacid,Usnein,Usniacin,Usno

MDL Number

MFCD00065294

Customs Code

2917399090

FAQ

What is 4,10-diacetyl-11,13-dihydroxy-2,12-dimethyl-8-oxatricyclo[7.4.0.0,2,7]trideca-1(9),6,10,12-tetraene-3,5-dione (CAS: 125-46-2)?

4,10-Diacetyl-11,13-dihydroxy-2,12-dimethyl-8-oxatricyclo[7.4.0.0,2,7]trideca-1(9),6,10,12-tetraene-3,5-dione (CAS: 125-46-2) is a complex organic compound featuring a tricyclic ring system with multiple functional groups. Its structure includes acetyl (COCH3) groups at positions 4 and 10, hydroxyl (OH) groups at 11 and 13, methyl (CH3) groups at 2 and 12, and an oxo (C=O) group at position 8. It is a synthetic molecule with potential applications in specialized chemical research, though specific properties may require further analysis.

What are the main uses of 4,10-diacetyl-11,13-dihydroxy-2,12-dimethyl-8-oxatricyclo[7.4.0.0,2,7]trideca-1(9),6,10,12-tetraene-3,5-dione (CAS: 125-46-2)?

This compound is primarily used as a research tool in pharmaceutical and organic chemistry, serving as a potential precursor for drug development or functional group modification. It may also find niche applications in industrial chemical synthesis or as a component in specialized formulations. Due to its complex structure, it is often utilized in studies related to molecular reactivity and stereochemistry, though specific commercial uses are not widely documented.

Is 4,10-diacetyl-11,13-dihydroxy-2,12-dimethyl-8-oxatricyclo[7.4.0.0,2,7]trideca-1(9),6,10,12-tetraene-3,5-dione (CAS: 125-46-2) safe?

Safety data for this compound is limited, but as with many complex organic chemicals, it requires careful handling. It may exhibit irritant properties and should be managed in well-ventilated areas with protective equipment such as gloves and goggles. Compliance with standard laboratory safety protocols and regulatory guidelines (e.g., OSHA, EPA) is recommended to ensure safe use and minimize exposure risks.

How should 4,10-diacetyl-11,13-dihydroxy-2,12-dimethyl-8-oxatricyclo[7.4.0.0,2,7]trideca-1(9),6,10,12-tetraene-3,5-dione (CAS: 125-46-2) be stored?

Store 4,10-diacetyl-11,13-dihydroxy-2,12-dimethyl-8-oxatricyclo[7.4.0.0,2,7]trideca-1(9),6,10,12-tetraene-3,5-dione (CAS: 125-46-2) in a cool, dry, and dark environment to prevent degradation. Keep it in a sealed container to avoid moisture and air exposure. Maintain storage temperatures below 25°C and ensure humidity levels are controlled. Protective measures should be taken to prevent contamination or physical damage during storage.