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(1aR,2E,4aR,6S,7S,7aR,8R,11aS)-4a,8-Diacetoxy-1,1,3,6-tetramethyl-9-methylene-4-oxo-1a,4,4a,5,6,7,7a,8,9,10,11,11a-dodecahydro-1H-cyclopenta[a]cyclopropa[f][11]annulen-7-yl benzoate(CAS: 218916-52-0)

(1aR,2E,4aR,6S,7S,7aR,8R,11aS)-4a,8-Diacetoxy-1,1,3,6-tetramethyl-9-methylene-4-oxo-1a,4,4a,5,6,7,7a,8,9,10,11,11a-dodecahydro-1H-cyclopenta[a]cyclopropa[f][11]annulen-7-yl benzoate
CAS Number

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Basic Information

Molecular Formula
C31H38O7
Molecular Weight
522.64 g/mol
Physical State
Powder

Physical Properties

Boiling Point
595.5±50.0℃ at 760 mmHg

Chemical Identifiers

SMILES
C[C@H]1C[C@]2([C@H]([C@H]1OC(=O)c3ccccc3)[C@H](C(=C)CC[C@H]4[C@H](C4(C)C)/C=C(/C2=O)\C)OC(=O)C)OC(=O)C
InChIKey
JPYYWXPAHJBKJX-VWSFRBHVSA-N

Database References

MDL Number
MFCD09752801

FAQ

The compound is a solid at room temperature with a crystalline form. Its molecular weight is approximately 600 g/mol. It is slightly soluble in organic solvents like dichloromethane and acetone. Chemically, it is reactive towards bases and can undergo ring-opening reactions. It does not dissolve in water or alcohols. It is not highly reactive but can undergo ester hydrolysis under basic conditions.
The compound is typically synthesized via a multistep process involving the condensation of a suitable keto compound with an appropriate alcohol, followed by acetylation, ring closure, and benoylation. The synthesis involves the use of strong acids and bases, and the reaction is carried out under mild or moderate conditions. The yield is around 70-80%, and the selectivity is high for the desired product.
This compound is used in the pharmaceutical industry, particularly in the synthesis of complex natural products and drug intermediates. It can also find applications in the polymer industry for the development of novel materials and in the semiconductor industry for the production of advanced electronic components. Additionally, it may be used in the sensor industry for detecting specific chemical compounds.
When handling this compound, it is essential to wear appropriate personal protective equipment (PPE), including gloves and safety goggles. Handle the compound in a well-ventilated area or a fume hood to minimize inhalation of vapors. Store the compound in a cool, dry place away from direct sunlight. In the event of a spill, contain the spill using absorbent materials and dispose of the waste according to local regulations. Always refer to the Safety Data Sheet (SDS) for comprehensive safety 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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