(3beta,16beta)-3,17-Dihydroxy-22-oxocholest-5-en-16-yl 2-O-acetyl-3-O-[2-O-(4-methoxybenzoyl)-beta-D-xylopyranosyl]-alpha-L-arabinopyranoside | CAS No. 145075-81-6

(3beta,16beta)-3,17-Dihydroxy-22-oxocholest-5-en-16-yl 2-O-acetyl-3-O-[2-O-(4-methoxybenzoyl)-beta-D-xylopyranosyl]-alpha-L-arabinopyranoside

Basic Information

CAS Number

145075-81-6

Molecular Formula

C47H68O15

Molecular Weight

873.05 g/mol

AD

Basic Physical Properties

COc1ccc(cc1)C(=O)O[C@H]1[C@@H](OC[C@H]([C@@H]1O)O)O[C@H]1[C@@H](O)CO[C@H]([C@@H]1OC(=O)C)O[C@H]1C[C@@H]2[C@]([C@@]1(O)[C@@H](C(=O)CCC(C)C)C)(C)CC[C@H]1[C@H]2CC=C2[C@]1(C)CC[C@@H](C2)O

InChI

InChI=1S/C47H68O15/c1-24(2)8-15-34(50)25(3)47(55)37(21-33-31-14-11-28-20-29(49)16-18-45(28,5)32(31)17-19-46(33,47)6)60-44-41(59-26(4)48)39(36(52)23-58-44)62-43-40(38(53)35(51)22-57-43)61-42(54)27-9-12-30(56-7)13-10-27/h9-13,24-25,29,31-33,35-41,43-44,49,51-53,55H,8,14-23H2,1-7H3/t25-,29+,31-,32+,33+,35-,36+,37+,38+,39+,40-,41-,43+,44+,45+,46+,47-/m1/s1

InChIKey

MPXTYZZFIJTPPA-MKQTXCTDSA-N

LogP

4.024100000000004

Topological Polar Surface Area

216.96999999999997 Ų

Hydrogen Bond Donor/Acceptor

5 / 15

Synonyms & References

English

  • Cholest-5-en-22-one,16-[[2-O-acetyl-3-O-[2-O-(4-methoxybenzoyl)-b-D-xylopyranosyl]-a-L-arabinopyranosyl]oxy]-3,17-dihydroxy-, (3b,16b)-
  • Cholest-5-en-22-one,16-[[2-O-acetyl-3-O-[2-O-(4-methoxybenzoyl)-b-D-xylopyranosyl]-a-L-arabino...
  • Cholest-5-en-22-one,16-[[2-O-acetyl-3-O-[2-O-(4-methoxybenzoyl)-b-D-xylopyranosyl]-a-L-arabinopyranosyl]oxy]-3,17-dihydroxy-,
  • ORSAPONIN
  • osw-1
  • 3β,16β,17α-trihydroxycholest-5-en-22-one 16-O-(2-O-(4-methoxybenzoyl)-β-D-xylopyranosyl)-(1-3)-(2-O-acetyl-α-arabinopyranoside)
  • 3β,16β,17α-trihydroxycholest-5-en-22-one 16-O-(2-O-4-methoxybenzoyl-β-D-xylopyranosyl)-(1->3)-(2-O-acetyl-α-L-arabinopyranoside)
  • 3β,16β,17α-trihydroxycholest-5-en-22-one 16-O-{O-[2-O-(4-methoxybenzoyl)-β-D-xylopyranosyl]-(1->3)-2-O-acetyl-β-L-arabinopyranoside}
  • 16beta-[2-O-Acetyl-3-O-[2-O-(4-Methoxybenzoyl)-beta-D-xylopyranosyl)-alpha-L-arabinopyranosyloxy]-3b
  • (3β,16β)-16-[[2-O-Acetyl-3-O-[2-O-(4-methoxybenzoyl)-β-D-xylopyranosyl]-α-L-arabinopyranosyl]oxy]-3,17-dihydroxycholest-5-en-22-one
  • 16beta-[2-O-Acetyl-3-O-[2-O-(4-methoxybenzoyl)-beta-D-xylopyranosyl)-alpha-L-arabinopyranosyloxy]-3beta,17alpha-dihydroxycholest-5-en-22-one
  • OSW-1

MDL Number

MFCD07779405

FAQ

What are the physical and chemical properties of (3beta,16beta)-3,17-Dihydroxy-22-oxocholest-5-en-16-yl 2-O-acetyl-3-O-[2-O-(4-methoxybenzoyl)-beta-D-xylopyranosyl]-alpha-L-arabinopyranoside (CAS: 145075-81-6)?

The compound is a sterol derivative with a molecular weight of approximately 1016 g/mol. It is poorly soluble in water but soluble in organic solvents like methanol and ethanol. The compound shows limited reactivity under normal conditions but can undergo hydrolysis under basic conditions. It crystallizes in a form suitable for X-ray analysis and exhibits spectroscopic properties typical of steroidal glycosides.

How is (3beta,16beta)-3,17-Dihydroxy-22-oxocholest-5-en-16-yl 2-O-acetyl-3-O-[2-O-(4-methoxybenzoyl)-beta-D-xylopyranosyl]-alpha-L-arabinopyranoside (CAS: 145075-81-6) typically synthesized?

The compound can be synthesized through a series of enzymatic and chemical reactions involving the modification of cholic acid to form the desired steroidal structure. Catalytic hydrogenation, acetylation, and glycosylation steps are typically employed to achieve the final product with high selectivity and yield. Detailed reaction conditions and purification methods are described in recent literature.

What industries use (3beta,16beta)-3,17-Dihydroxy-22-oxocholest-5-en-16-yl 2-O-acetyl-3-O-[2-O-(4-methoxybenzoyl)-beta-D-xylopyranosyl]-alpha-L-arabinopyranoside (CAS: 145075-81-6)?

This compound is primarily used in pharmaceutical industries for the development of new drugs. Its unique chemical structure makes it a potential candidate for use as a bioactive compound in therapeutic applications. While its use in polymers or semiconductors is speculative, it could potentially find applications in sensor technology due to its functional groups.

What precautions should be taken when handling (3beta,16beta)-3,17-Dihydroxy-22-oxocholest-5-en-16-yl 2-O-acetyl-3-O-[2-O-(4-methoxybenzoyl)-beta-D-xylopyranosyl]-alpha-L-arabinopyranoside (CAS: 145075-81-6)?

Proper personal protective equipment (PPE) such as gloves, goggles, and lab coats should be worn when handling this compound. It should be stored in a cool, dry place away from direct sunlight. In case of a spill, it should be handled in a fume hood using appropriate absorption materials. Safety data sheets (SDS) should be consulted for detailed spill and emergency handling procedures.

Related Compounds

You might also like

Compound Q&A

What is 6-Methyl-7-oxabicyclo[4.1.0]heptan-2-one (CAS: 21889-89-4)?

6-Methyl-7-oxabicyclo[4.1.0]heptan-2-one is a cyclic ketone with a molecular for...

21889-89-46-Methyl-7-oxabicycl...
Compound Q&A

What is 4-[(6-Methyl-2-pyrazinyl)oxy]benzoic acid (CAS: 906353-00-2)?

4-[(6-Methyl-2-pyrazinyl)oxy]benzoic acid is a chemical compound with the CAS nu...

906353-00-24-[(6-Methyl-2-pyraz...
Compound Q&A

What is 2-(2-Pyridinyl)-1,3-propanediol (CAS: 49745-42-8)?

2-(2-Pyridinyl)-1,3-propanediol (CAS: 49745-42-8) is a colorless to slightly yel...

49745-42-82-(2-Pyridinyl)-1,3-...
Compound Q&A

What is 2-(6-Chloro-2-pyridinyl)-2-phenylacetonitrile (CAS: 24783-42-4)?

2-(6-Chloro-2-pyridinyl)-2-phenylacetonitrile is an organic compound with the CA...

24783-42-42-(6-Chloro-2-pyridi...
Compound Q&A

What is 2-Oxopropanamide (CAS: 631-66-3)?

2-Oxopropanamide, also known as 2-aminoacrylic acid, is a chemical compound with...

631-66-32-Oxopropanamide
Compound Q&A

What is 2-Methyl-2-propanyl 4-(5-bromo-6-methyl-2-pyridinyl)-1-piperazinecarboxylate (CAS: 1289040-88-5)?

2-Methyl-2-propanyl 4-(5-bromo-6-methyl-2-pyridinyl)-1-piperazinecarboxylate (CA...

1289040-88-52-Methyl-2-propanyl ...
Compound Q&A

What is NAMPT inhibitor-linker 1 (CAS: 2241019-57-6)?

NAMPT inhibitor-linker 1 (CAS: 2241019-57-6) is a chemical compound designed as ...

2241019-57-6NAMPT inhibitor-link...
Compound Q&A

What is (2-(2,2,2-Trifluoroacetyl)pyridin-4-yl)boronic acid (CAS: 1310404-58-0)?

It is a chemical compound with the structure (2-(2,2,2-Trifluoroacetyl)pyridin-4...

1310404-58-0(2-(2,2,2-Trifluoroa...
Compound Q&A

What is 1-(2-Chlorophenyl)-6-(3,3,3-trifluoro-2-methylpropyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one (CAS: 794568-90-4)?

1-(2-Chlorophenyl)-6-(3,3,3-trifluoro-2-methylpropyl)-1,5-dihydro-4H-pyrazolo[3,...

794568-90-41-(2-Chlorophenyl)-6...
Compound Q&A

What is Vinyl(chloromethyl)dimethoxysilane (CAS: 1314981-48-0)?

Vinyl(chloromethyl)dimethoxysilane is an organosilicon compound with the molecul...

1314981-48-0Vinyl(chloromethyl)d...