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(5R,5aR,8aR,9R)-9-Hydroxy-5-(4-hydroxy-3,5-dimethoxyphenyl)-5,8,8a,9-tetrahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-6(5aH)-one(CAS: 40505-27-9)

(5R,5aR,8aR,9R)-9-Hydroxy-5-(4-hydroxy-3,5-dimethoxyphenyl)-5,8,8a,9-tetrahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-6(5aH)-one
CAS Number

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Basic Information

Molecular Formula
C21H20O8
Molecular Weight
400.38 g/mol
Physical State
Cryst.

Physical Properties

Boiling Point
626.5 °C at 760 mmHg
Density
1.446
Flash Point
224.4 °C

Chemical Identifiers

SMILES
O=C1OC[C@]2([H])[C@@H](O)C3=C(C=C4OCOC4=C3)[C@@H](C5=CC(OC)=C(O)C(OC)=C5)[C@]21[H]
InChIKey
YVCVYCSAAZQOJI-BTINSWFASA-N

Database References

MDL Number
MFCD01725607
Beilstein Registry Number
0099005

FAQ

The compound is a crystalline solid with a molecular weight of approximately 461.31 g/mol. It has a high solubility in organic solvents such as methanol and ethyl acetate. Chemically, it is moderately reactive, showing electrophilic aromatic substitution and nucleophilic addition reactions. It is stable under normal laboratory conditions but should be handled with care due to its reactivity.
This compound can be synthesized through condensation reactions of 4-hydroxy-3,5-dimethoxybenzaldehyde with a suitable furo[3',4':6,7]naphtho[2,3-d][1,3]dioxol-6(5aH)-one derivative, followed by hydroxylation to introduce the 9-hydroxy group. The synthesis involves the use of Lewis acids as catalysts and requires precise control of reaction conditions to achieve high yield and selectivity.
This compound is currently used in the pharmaceutical industry for the development of certain drug candidates. It may also find applications in the polymer industry for specific functional polymers, and in the chemical sensing sector for developing sensitive detection devices. Further research and development are ongoing to explore its potential in other sectors.
When handling this compound, it is essential to wear appropriate personal protective equipment (PPE), including gloves, safety goggles, and a lab coat. Work should be conducted in a well-ventilated environment or a fume hood to minimize exposure. Spills should be carefully managed using absorbent materials, and the area should be thoroughly cleaned. Always consult the Material Safety Data Sheet (MSDS) for specific guidelines and emergency procedures.

Safety Notice

Please verify product specifications and safety data before use. Contact the supplier for detailed safety information.

Always follow proper handling procedures

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