(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

Basic Information

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CAS Number

128730-82-5

Molecular Formula

C47H76O17

Molecular Weight

913.1 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Surfactants Anionic Surfactants

Polymers and Plastics Thermoplastics Polyolefins

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Physical State

Powder

Melting Point

240-245 ºC

Solubility

Insuluble (6.4E-4 g/L) (25 ºC),

SMILES

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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

InChI

InChI=1S/C47H76O17/c1-22-30(51)36(63-38-34(55)33(54)32(53)26(19-48)61-38)35(56)39(60-22)64-37-31(52)25(50)20-59-40(37)62-29-11-12-43(4)27(44(29,5)21-49)10-13-46(7)28(43)9-8-23-24-18-42(2,3)14-16-47(24,41(57)58)17-15-45(23,46)6/h8,22,24-40,48-56H,9-21H2,1-7H3,(H,57,58)

InChIKey

AMXYFWUYMQOLRN-UHFFFAOYSA-N

LogP

1.34530

Complexity

1750

Safety Information

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Storage Conditions

2-8℃

Synonyms & References

English

Olean-12-en-28-oic acid, 3-((O-beta-D-glucopyranosyl-(1-3)-O-6-deoxy-alpha-L-mannopyranosyl-(1-2)-alpha-L-arabinopyranosyl)oxy)-23-hydroxy-, (3beta,4alpha)-
(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
Olean-12-en-28-oic acid, 3-[(O-.beta.-D-glucopyranosyl-(1.fwdarw.3)-O-6-deoxy-.alpha.-L-mannopyranosyl-(1.fwdarw.2)-.alpha.-L-arabinopyranosyl)oxy]-23-hydroxy-, (3.beta.,4.alpha.)-
128730-82-5
Kalopanaxsaponin H
Kalopanaxsaponin-H
Olean-12-en-28-oicacid, 3-[(O-b-D-glucopyranosyl-(1?3)-O-6-deoxy-a-L-mannopyranosyl-(1?2)-a-L-arabinopyranosyl)oxy]-23-hydroxy-, (3b,4a)-
(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
Olean-12-en-28-oicacid, 3-[(O-b-D-glucopyranosyl-(1®3)-O-6-deoxy-a-L-mannopyranosyl-(1®2)-a-L-arabinopyranosyl)oxy]-23-hydroxy-, (3b,4a)-
3)-O-6-deoxy-a-L-mannopyranosyl-(1&reg
3)-O-6-deoxy-a-L-mannopyranosyl-(1&reg...
Macranthoside A
(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-[

MDL Number

MFCD28124361

FAQ

What are the physical and chemical properties of (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)?

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.

How is (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) typically synthesized?

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.

What industries use (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)?

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.

What precautions should be taken when handling (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)?

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.