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Sodium (3R,5R)-3,5-dihydroxy-7-[(1S,2S,6S,8S,8aR)-6-hydroxy-2-methyl-8-{[(2S)-2-methylbutanoyl]oxy}-1,2,6,7,8,8a-hexahydro-1-naphthalenyl]heptanoate(CAS: 81131-70-6)

Sodium (3R,5R)-3,5-dihydroxy-7-[(1S,2S,6S,8S,8aR)-6-hydroxy-2-methyl-8-{[(2S)-2-methylbutanoyl]oxy}-1,2,6,7,8,8a-hexahydro-1-naphthalenyl]heptanoate
CAS Number

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Basic Information

Molecular Formula
C23H35NaO7
Molecular Weight
446.5 g/mol

Physical Properties

Melting Point
154-160 ºC
Boiling Point
634.5°C at 760 mmHg
Flash Point
No data available

Chemical Identifiers

SMILES
CCC(C)C(=O)OC1CC(C=C2C1C(C(C=C2)C)CCC(CC(CC(=O)[O-])O)O)O.[Na+]
InChIKey
VWBQYTRBTXKKOG-IYNICTALSA-M

Database References

MDL Number
MFCD18253021
Beilstein Registry Number
4836204

FAQ

Sodium (3R,5R)-3,5-dihydroxy-7-[(1S,2S,6S,8S,8aR)-6-hydroxy-2-methyl-8-{[(2S)-2-methylbutanoyl]oxy}-1,2,6,7,8,8a-hexahydro-1-naphthalenyl]heptanoate (CAS: 81131-70-6) is a complex organic compound with a sodium salt structure. It contains multiple hydroxyl and ester functional groups, making it a potential candidate for pharmaceutical applications. The compound is known for its stereochemical complexity, with specific configurations at several chiral centers.
This compound is primarily used in pharmaceutical research as a potential drug candidate. It may have applications in the development of treatments for metabolic disorders and neurological conditions due to its structural features. In industrial settings, it may be used as a chemical intermediate. Its use in food or consumer products is limited and not widely documented.
Sodium (3R,5R)-3,5-dihydroxy-7-[(1S,2S,6S,8S,8aR)-6-hydroxy-2-methyl-8-{[(2S)-2-methylbutanoyl]oxy}-1,2,6,7,8,8a-hexahydro-1-naphthalenyl]heptanoate (CAS: 81131-70-6) is generally considered safe when handled properly. However, as with many organic compounds, it requires careful handling to avoid exposure. Protective measures such as gloves, goggles, and proper ventilation should be used. Safety data sheets should be consulted for specific guidelines.
Sodium (3R,5R)-3,5-dihydroxy-7-[(1S,2S,6S,8S,8aR)-6-hydroxy-2-methyl-8-{[(2S)-2-methylbutanoyl]oxy}-1,2,6,7,8,8a-hexahydro-1-naphthalenyl]heptanoate (CAS: 81131-70-6) should be stored in a cool, dry, and dark place. It is recommended to keep it in a sealed container to prevent moisture exposure. Storage at temperatures below 25°C is advisable, and it should be protected from light to maintain stability and prevent degradation.

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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