16-Hydroxy-2,12-dimethoxypicrasa-2,12-diene-1,11-dione

Basic Information

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CAS Number

76-77-7

Molecular Formula

C22H30O6

Molecular Weight

390.48 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 Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Surfactants Anionic Surfactants

Polymers and Plastics Thermoplastics Polyolefins

Basic Physical Properties

Physical State

Cryst.

Melting Point

228 ºC

Density

1.24±0.1 g/cm3 (20 ºC 760 Torr),

Refractive Index

1.626

Specific Rotation

D20 +41.0° (c = 4.98 in chloroform)

SMILES

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CC1C=C(C(=O)C2(C1CC3C4(C2C(=O)C(=C(C4CC(O3)O)C)OC)C)C)OC

InChI

InChI=1S/C22H30O6/c1-10-7-14(26-5)20(25)22(4)12(10)8-15-21(3)13(9-16(23)28-15)11(2)18(27-6)17(24)19(21)22/h7,10,12-13,15-16,19,23H,8-9H2,1-6H3/t10-,12+,13+,15-,16?,19+,21-,22+/m1/s1

InChIKey

BDQNCUODBJZKIY-NUPPOKJBSA-N

LogP

2.610800000000001

Topological Polar Surface Area

82.06000000000002 Å²

Hydrogen Bond Donor/Acceptor

1 / 6

Complexity

797

Safety Information

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Storage Conditions

2-8℃

Synonyms & References

English

11-hydroxy-4,15-dimethoxy-2,6,14,17-tetramethyl-10-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-4,14-diene-3,16-dione
DTXSID00871550
16-Hydroxy-2,12-dimethoxy-Picrasa-2,12-diene-1,11-dione
CHEBI:175122
NSC-139168
NSC139168
CHEMBL4296861
Nigakihemiacetal B
Picrasa-2,12-diene-1,11-dione,16-hydroxy-2,12-dimethoxy-
FT-0775833
Picrasa-2,11-dione, 16-hydroxy-2,12-dimethoxy-
AKOS040760592
16-hydroxy-2,12-dimethoxypicrasa-2,12-diene-1,11-dione
Neoquassine
SMR001798066
MLS002920476
76-77-7
Neoquassin
Simalikahemiacetal A
neo-quassin
Picrasa-2,12-diene-1,11-dione,16-hydroxy-2,12-dimethoxy
Neoquassine,Nigakihemiacetal B,Simalikahemiacetal A,NSC 139168

MDL Number

MFCD31808254

FAQ

What is 16-Hydroxy-2,12-dimethoxypicrasa-2,12-diene-1,11-dione (CAS: 76-77-7)?

16-Hydroxy-2,12-dimethoxypicrasa-2,12-diene-1,11-dione (CAS: 76-77-7) is a complex organic compound. It features a diene system with a 1,11-dione structure, and hydroxy and methoxy substituents. This compound is not commonly used in commercial applications and is primarily of interest in specialized chemical research and analysis.

What are the main uses of 16-Hydroxy-2,12-dimethoxypicrasa-2,12-diene-1,11-dione (CAS: 76-77-7)?

16-Hydroxy-2,12-dimethoxypicrasa-2,12-diene-1,11-dione (CAS: 76-77-7) is mainly used in specialized chemical research and analysis. It has potential applications in the development of new synthetic pathways and as a reference compound in analytical chemistry.

Is 16-Hydroxy-2,12-dimethoxypicrasa-2,12-diene-1,11-dione (CAS: 76-77-7) safe?

16-Hydroxy-2,12-dimethoxypicrasa-2,12-diene-1,11-dione (CAS: 76-77-7) is generally considered safe under normal handling conditions, but precautions should be taken due to its chemical nature. Wear appropriate personal protective equipment (PPE) such as gloves and safety goggles. Avoid contact with skin and eyes, and inhaling dust or vapors.

How should 16-Hydroxy-2,12-dimethoxypicrasa-2,12-diene-1,11-dione (CAS: 76-77-7) be stored?

16-Hydroxy-2,12-dimethoxypicrasa-2,12-diene-1,11-dione (CAS: 76-77-7) should be stored in a cool, dry place away from direct sunlight and heat sources. Store in a tightly sealed container to prevent moisture absorption. Maintain a temperature of 15-25°C and avoid exposure to temperatures above 30°C.