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(5S,5aR,5bR,7aS,8S,10aS,11aR,11bR,13aR)-8-(3-Furyl)-1,1,5a,7a,11b-pentamethyl-3,10,12-trioxohexadecahydrooxireno[4,4a]isochromeno[6,5-g][2]benzoxepin-5-yl acetate(CAS: 1063-77-0)

(5S,5aR,5bR,7aS,8S,10aS,11aR,11bR,13aR)-8-(3-Furyl)-1,1,5a,7a,11b-pentamethyl-3,10,12-trioxohexadecahydrooxireno[4,4a]isochromeno[6,5-g][2]benzoxepin-5-yl acetate
CAS Number

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Basic Information

Molecular Formula
C28H34O9
Molecular Weight
514.57 g/mol
Physical State
Powder

Physical Properties

Melting Point
259-263°C
Density
1.3300

Chemical Identifiers

SMILES
CC(=O)OC1CC(=O)OC(C2C1(C3CCC4(C(OC(=O)C5C4(C3(C(=O)C2)C)O5)C6=COC=C6)C)C)(C)C
InChIKey
KPDOJFFZKAUIOE-WNGDLQANSA-N

Database References

MDL Number
MFCD00075979

FAQ

This compound is a complex organic molecule with a steroid-like core structure, featuring multiple methyl groups and a 3-furyl substituent. Its chemical formula is not provided here, but it contains functional groups such as acetate and oxo groups. It is characterized by its intricate stereochemistry (5S,5aR,5bR,7aS,8S,10aS,11aR,11bR,13aR) and potential biological activity, making it relevant in specialized chemical research contexts.
The compound is primarily used in pharmaceutical research as a potential intermediate for drug development, particularly in areas targeting anti-inflammatory or neuroactive agents. It may also serve as a structural analog in organic synthesis studies. Due to its complexity, specific industrial or commercial applications are not widely documented in public databases.
Safety data for this compound is limited, but as a complex organic chemical, it may pose risks such as skin or respiratory irritation. Precautions include handling in a well-ventilated area, wearing protective gloves and goggles, and avoiding direct contact. Always follow established safety protocols and consult regulatory guidelines (e.g., OSHA) for proper handling and exposure limits.
Store in a cool, dry place (ideally 2-8°C), away from light, and in a sealed, airtight container to maintain stability. Avoid humidity and direct exposure to air to prevent degradation. For long-term storage, refrigeration may be necessary, and the container should be made of inert materials like glass or amber-colored plastic to protect from light-induced breakdown.

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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