(3beta)-3-{[6-Deoxy-alpha-L-mannopyranosyl-(1->2)-[beta-D-glucopyranosyl-(1->4)]-alpha-L-arabinopyranosyl]oxy}-23-hydroxyolean-12-en-28-oic acid

Basic Information

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CAS Number

68027-15-6

Molecular Formula

C47H76O17

Molecular Weight

913.11 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

Melting Point

239-241 ºC

Density

1.40±0.1 g/cm3 (20 ºC 760 Torr),

Solubility

Insuluble (8.7E-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)OC8C(C(C(C(O8)CO)O)O)O)O)O)O)O

InChI

InChI=1S/C47H76O17/c1-22-30(50)33(53)35(55)38(60-22)64-37-32(52)26(62-39-36(56)34(54)31(51)25(19-48)61-39)20-59-40(37)63-29-11-12-43(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)/t22-,24-,25+,26-,27+,28+,29-,30-,31+,32-,33+,34-,35+,36+,37+,38-,39-,40-,43-,44-,45+,46+,47-/m0/s1

InChIKey

SOLICHUQXFAOEP-YDIXZRNLSA-N

LogP

1.3453000000000062

Topological Polar Surface Area

274.74999999999994 Å²

Hydrogen Bond Donor/Acceptor

10 / 17

Complexity

1750

Safety Information

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Storage Conditions

2-8℃

Synonyms & References

English

68027-15-6
Pulsatilla saponin D?SB365?
Hederagenin 3-O-alpha-L-rhaMnopyranosyl(1-->2)-(beta-D-glucopyranosyl(1-->4))-alpha-L-arabinopyranoside
s9308
MS-31703
SCHEMBL4931339
HY-N0834
AKOS030526876
MFCD28124361
CCG-270569
DTXSID901315269
(4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-9-(hydroxymethyl)-10-[(2S,3R,4S,5S)-4-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-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
Pulsatilla saponin D
Q27135421
CHEMBL479310
Pulsatillasaponin D
CHEBI:66790
Olean-12-en-28-oic acid,3-[[O-6-deoxy-a-L-mannopyranosyl-(1?2)-O-[b-D-glucopyranosyl-(1?4)]-a-L-arabinopyranosyl]oxy]-23-hydroxy-, (3b,4a)-
hederagenin 3-O-α-L-rhamnopyranosyl(1→2)-(β-D-glucopyranosyl(1→4))-α-L-arabinopyranoside
hederagenin 3-O-α-L-rhamnopyranosyl(1-2)-(β-D-glucopyranosyl(1-4))-α-L-arabinopyranoside
Olean-12-en-28-oic acid,3-[[O-6-deoxy-a-L-mannopyranosyl-(1?2)-O-[b-D-glucopyranosyl-(1?4)]-a-...
Hederacolchiside A
Hederagenin 3-O-Alpha-L-rhamnopYHanosyl(1→2)-(Beta-D-glucopYHanosyl(1→4))-Alpha-L-arabinopYHanoside
Hederagenin 3-O-Alpha-L-rhamnopyranosyl(1→2)-(Beta-D-glucopyranosyl(1→4))-Alpha-L-arabinopyranoside
hederagenin 3-O--L-rhamnopyranosyl(1-2)-(-D-glucopyranosyl(1-4))--L-arabinopyranoside
SB365
SB-365
Anemoside D
2878AH
Hederagenin 3-O-
A-L-rhamnopyranosyl(1 inverted exclamation marku2)-(

MDL Number

MFCD28124361

FAQ

What are the physical and chemical properties of (3beta)-3-{[6-Deoxy-alpha-L-mannopyranosyl-(1->2)-[beta-D-glucopyranosyl-(1->4)]-alpha-L-arabinopyranosyl]oxy}-23-hydroxyolean-12-en-28-oic acid (CAS: 68027-15-6)?

This compound is a complex triterpene acid with a molecular weight of approximately 1000 g/mol. It exists as a colorless crystalline solid with a specific melting point of around 170-175°C. It has a low solubility in water but is more soluble in organic solvents like methanol and ethanol. The compound demonstrates moderate reactivity, particularly towards nucleophiles and reducing agents. It is stable under neutral conditions but may degrade under acidic or basic conditions.

How is (3beta)-3-{[6-Deoxy-alpha-L-mannopyranosyl-(1->2)-[beta-D-glucopyranosyl-(1->4)]-alpha-L-arabinopyranosyl]oxy}-23-hydroxyolean-12-en-28-oic acid (CAS: 68027-15-6) typically synthesized?

This compound can be synthesized through a multi-step process involving glycosylation of oleanolic acid. The key steps include the protection of the hydroxyl groups, selective glycosylation, and subsequent deprotection. Commonly used catalysts include organocatalysts and metal complexes, which provide high selectivity and good yields. Reaction conditions are optimized to ensure high purity of the final product.

What industries use (3beta)-3-{[6-Deoxy-alpha-L-mannopyranosyl-(1->2)-[beta-D-glucopyranosyl-(1->4)]-alpha-L-arabinopyranosyl]oxy}-23-hydroxyolean-12-en-28-oic acid (CAS: 68027-15-6)?

This compound finds applications in the pharmaceutical industry as a potential lead compound for drug development. It is also used in the production of certain natural products and dietary supplements. In the field of analytical chemistry, it can be incorporated into sensors for detecting specific biological markers. Due to its complex structure, it may also be used in the synthesis of novel materials for advanced applications in semiconductors.

What precautions should be taken when handling (3beta)-3-{[6-Deoxy-alpha-L-mannopyranosyl-(1->2)-[beta-D-glucopyranosyl-(1->4)]-alpha-L-arabinopyranosyl]oxy}-23-hydroxyolean-12-en-28-oic acid (CAS: 68027-15-6)?

When handling this compound, it is essential to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood to minimize exposure to volatile components. In case of a spill, it should be immediately cleaned up using appropriate absorbents, and the area should be decontaminated. Always refer to the Material Safety Data Sheet (MSDS) for detailed safety information and emergency procedures.