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(1alpha,3alpha,6alpha,14alpha,16beta,17S)-3,13-Dihydroxy-1,6,16-trimethoxy-4-(methoxymethyl)aconitan-14-yl 4-methoxybenzoate(CAS: 110011-77-3)

(1alpha,3alpha,6alpha,14alpha,16beta,17S)-3,13-Dihydroxy-1,6,16-trimethoxy-4-(methoxymethyl)aconitan-14-yl 4-methoxybenzoate
CAS Number

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Basic Information

Molecular Formula
C31H43NO9
Molecular Weight
573.68 g/mol
Physical State
White powder

Physical Properties

Melting Point
99-101 ºC

Chemical Identifiers

SMILES
COC[C@]12CN[C@@H]3[C@H]4[C@H]5C[C@@H]([C@]6(C[C@H]([C@@H]5[C@H]6OC(=O)c7ccc(cc7)OC)C3([C@@H]1[C@H]4OC)[C@H](C[C@H]2O)OC)O)OC
InChIKey
XISSUEXEHQIQCY-KLMHWHESSA-N

Database References

MDL Number
MFCD22125021

FAQ

This compound is a complex organic compound with the CAS number 110011-77-3. It is a derivative of aconitane with specific substituents at various positions, making it a specialized chemical used primarily in pharmaceutical and research applications. The chemical structure includes hydroxyl, methoxy, and methyl groups, contributing to its unique properties and reactivity.
This compound is primarily used in pharmaceutical research and development, serving as a precursor or intermediate in the synthesis of more complex compounds. It is also utilized in natural product chemistry and as a starting material in custom chemical synthesis projects.
When handled properly, (1alpha,3alpha,6alpha,14alpha,16beta,17S)-3,13-Dihydroxy-1,6,16-trimethoxy-4-(methoxymethyl)aconitan-14-yl 4-methoxybenzoate is generally safe. However, it should be stored and used under appropriate safety measures, including the use of personal protective equipment and adherence to chemical safety guidelines. Exposure to high temperatures or direct sunlight should be avoided.
This compound should be stored in a cool, dry place, away from direct sunlight and heat sources. It should be kept in a tightly sealed container to prevent degradation. Optimal storage conditions are below 25°C, with a relative humidity below 60%. Proper ventilation should be maintained to avoid the accumulation of flammable or toxic gases.

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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