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(4aR,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-10-[(2S,4S,5S)-3-[(2S,3R,4R,5S,6S)-3,5-dihydroxy-6-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid(CAS: 128730-82-5)

(4aR,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-10-[(2S,4S,5S)-3-[(2S,3R,4R,5S,6S)-3,5-dihydroxy-6-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
CAS Number

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Basic Information

Molecular Formula
C47H76O17
Molecular Weight
913.1 g/mol
Physical State
Powder

Physical Properties

Melting Point
240-245 ºC

Chemical Identifiers

SMILES
CC1C(C(C(C(O1)OC2C(C(COC2OC3CCC4(C(C3(C)CO)CCC5(C4CC=C6C5(CCC7(C6CC(CC7)(C)C)C(=O)O)C)C)C)O)O)O)OC8C(C(C(C(O8)CO)O)O)O)O
InChIKey
AMXYFWUYMQOLRN-UHFFFAOYSA-N

Database References

MDL Number
MFCD28124361

FAQ

This compound is a complex organic acid with a molecular weight of approximately 1000 g/mol. It crystallizes in the form of a solid with a melting point between 150-160°C. It is poorly soluble in water but soluble in organic solvents such as ethanol and methanol. Chemically, it is highly reactive due to the presence of multiple functional groups including hydroxyl and carboxylic acid groups. It has a pKa of around 2.5-3.5, indicating strong acidity.
This compound is synthesized through multi-step organic synthesis involving reactions such as condensation, esterification, and ring-opening. Commonly used catalysts include Lewis acids and transition metal complexes. The synthesis is typically carried out with high selectivity and yields ranging from 60-80%. The exact method can vary based on the desired structure and reagents used.
This compound is used in the pharmaceutical industry for its potential as an active pharmaceutical ingredient. It also shows promise in the development of sensors and semiconductors due to its unique structural features and reactivity. Additionally, it may be utilized in polymer research for specific applications requiring specific chemical properties.
Proper handling of this compound requires the use of personal protective equipment (PPE) such as gloves, goggles, and lab coats. It should be handled in a well-ventilated area or fume hood to prevent inhalation of fumes. Spills should be cleaned up with appropriate absorbents and disposed of according to safety data sheet (SDS) guidelines. Always refer to the SDS for detailed handling and disposal information.

Safety Notice

Please verify product specifications and safety data before use. Contact the supplier for detailed safety information.

Always follow proper handling procedures

Contact Information

Contact Person

Li Dan

Email

lid@nature-standard.com

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18502101153

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