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(2aR,4S,4aS,5R,6R,8S,9aS,10S,10aR,10bS)-4,5,10,10b-Tetraacetoxy-8-hydroxy-9a-(2-hydroxy-2-propanyl)-4a,7-dimethyl-2a,3,4,4a,5,6,8,9,9a,10,10a,10b-dodecahydro-1H-azuleno[5',6':3,4]benzo[1,2-b]oxet-6-yl benzoate(CAS: 153229-31-3)

(2aR,4S,4aS,5R,6R,8S,9aS,10S,10aR,10bS)-4,5,10,10b-Tetraacetoxy-8-hydroxy-9a-(2-hydroxy-2-propanyl)-4a,7-dimethyl-2a,3,4,4a,5,6,8,9,9a,10,10a,10b-dodecahydro-1H-azuleno[5',6':3,4]benzo[1,2-b]oxet-6-yl
 benzoate
CAS Number

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Basic Information

Molecular Formula
C35H44O13
Molecular Weight
672.72 g/mol
Physical State
Cryst.

Chemical Identifiers

SMILES
CC1=C2[C@H]([C@@H]([C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@]2(C[C@@H]1O)C(C)(C)O)OC(=O)C)(CO4)OC(=O)C)OC(=O)C)C)OC(=O)C)OC(=O)c5ccccc5
InChIKey
IKDVXNASCSGIHM-SZBOGCPYSA-N

Database References

MDL Number
MFCD20260413

FAQ

The compound is a crystalline solid with a high molecular weight. It has poor water solubility but good solubility in organic solvents like chloroform and methanol. Chemically, it is highly reactive due to the presence of multiple functional groups, particularly the carboxyl and hydroxyl groups. It can undergo esterification, ester hydrolysis, and other reactions typical of its functional groups.
The compound is synthesized via a multi-step process involving acetylation, esterification, and ring closure through condensation reactions. Commonly used catalysts include acid catalysts like sulfuric acid, and the reaction typically proceeds with high yield and good selectivity.
This compound is primarily used in the pharmaceutical and polymer industries for its unique chemical properties. It can also be applied in sensor technology and semiconductor manufacturing due to its optical and electronic properties.
Proper personal protective equipment (PPE) is essential, including gloves, goggles, and lab coats. Work should be conducted in a well-ventilated fume hood to minimize exposure. Spills should be handled with absorbent materials, and the area should be cleaned with appropriate solvents. Always consult the Safety Data Sheet (SDS) for detailed handling 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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