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(1S,2R,3S,5S,6S,16E,18E,20R,21S)-11-Chloro-6,21-dihydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18-pentaene-8,23-dione(CAS: 57103-68-1)

(1S,2R,3S,5S,6S,16E,18E,20R,21S)-11-Chloro-6,21-dihydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18-pentaene-8,23-dione
CAS Number

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Basic Information

Molecular Formula
C28H37ClN2O8
Molecular Weight
565.06 g/mol

Physical Properties

Melting Point
205-207 ºC
Density
1.34±0.1 g/cm3 (20 ºC 760 Torr),

Chemical Identifiers

SMILES
CC1C2CC(C(C=CC=C(CC3=CC(=C(C(=C3)OC)Cl)N(C(=O)CC(C4(C1O4)C)O)C)C)OC)(NC(=O)O2)O
InChIKey
QWPXBEHQFHACTK-RZKXNLMUSA-N

Database References

MDL Number
MFCD28144515

FAQ

The compound is a crystalline solid with a high molecular weight of approximately 649.8 g/mol. It has limited solubility in water but is soluble in organic solvents like ethanol and acetonitrile. Chemically, it is reactive towards nucleophiles and can undergo electrophilic substitution. The compound is stable under normal conditions but should be stored away from moisture and light.
The synthesis typically involves a series of steps including Wittig reactions, Grignard reactions, and a Diels-Alder reaction. The key catalysts used include organometallic reagents and Lewis acids. The final product can be isolated and purified by column chromatography, yielding a compound with high purity.
This compound is used in the pharmaceutical industry for the development of novel drugs due to its specific chemical structure. It may also find applications in the sensor and semiconductor industries, although the exact applications are not well-documented.
When handling this compound, ensure proper personal protective equipment (PPE) is used, including gloves, goggles, and a lab coat. Work should be conducted in a fume hood to minimize exposure. Spills should be cleaned up immediately using appropriate absorbent materials, and the area should be thoroughly ventilated. Always consult the Safety Data Sheet (SDS) for detailed handling and disposal instructions.

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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