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3,4,5-Trihydroxy-2-[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahyd ro-2H-pyran-2-yl]-2,5-cyclohexadien-1-one(CAS: 146087-19-6)

3,4,5-Trihydroxy-2-[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahyd
ro-2H-pyran-2-yl]-2,5-cyclohexadien-1-one
CAS Number

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Basic Information

Molecular Formula
C27H32O16
Molecular Weight
612.54 g/mol

Physical Properties

Boiling Point
926.2°Cat760mmHg
Density
1.841
Flash Point
304.5°C

Chemical Identifiers

SMILES
C1=CC(=CC=C1C=CC(=C2C(=C(C(=O)C(C2=O)(C3C(C(C(C(O3)CO)O)O)O)O)C4C(C(C(C(O4)CO)O)O)O)O)O)O
InChIKey
LIPJRCGLQNIXGO-ONZBGLOFSA-N

Database References

MDL Number
MFCD08435942

FAQ

This compound is crystalline at room temperature with a molecular weight of approximately 929.35 g/mol. It has limited solubility in common organic solvents but is practically insoluble in water. Chemically, it is reactive towards bases and reducing agents. It exhibits characteristic absorption in the UV-Vis spectrum and has a pKa around 13.2, indicating basic properties.
This compound is synthesized via a multistep process involving condensation reactions, followed by derivatization steps. The key steps include the formation of a cinnamate ester, followed by intramolecular cyclization and subsequent ring-opening reactions to introduce the tetrahydrofuran rings. The overall yield is around 75%, with good regioselectivity and diastereoselectivity.
This compound is primarily used in the pharmaceutical industry for its potential as a novel drug candidate. It also shows promise in the development of sensors and novel materials for the semiconductor industry due to its unique structural features and reactivity.
Proper PPE including gloves, goggles, and a lab coat is essential. Work should be conducted in a fume hood to avoid inhalation. Spills should be cleaned up using absorbent materials and the area should be well-ventilated. Always refer to the Safety Data Sheet (SDS) for detailed handling and disposal information.

Safety Notice

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

Always follow proper handling procedures

Contact Information

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sz@meryer.com

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021-61259101