{(1R,3R,4R,6S,9R)-1-[(6-O-Benzoyl-beta-D-mannopyranosyl)oxy]-4-hydroxy-6-methyl-8-oxo-7-oxatricyclo[4.3.0.0~3,9~]non-9-yl}methyl benzoate | CAS No. 184103-78-4

{(1R,3R,4R,6S,9R)-1-[(6-O-Benzoyl-beta-D-mannopyranosyl)oxy]-4-hydroxy-6-methyl-8-oxo-7-oxatricyclo[4.3.0.0~3,9~]non-9-yl}methyl benzoate

Basic Information

CAS Number

184103-78-4

Molecular Formula

C30H32O12

Molecular Weight

584.57 g/mol

AD

Basic Physical Properties

C[C@]12C[C@@H](O)[C@@H]3C[C@@]1(O[C@@H]1O[C@H](COC(=O)C4C=CC=CC=4)[C@@H](O)[C@H](O)[C@@H]1O)[C@@]3(COC(=O)C1C=CC=CC=1)C(=O)O2

InChI

InChI=1S/C30H32O12/c1-28-13-19(31)18-12-30(28,29(18,27(37)42-28)15-39-25(36)17-10-6-3-7-11-17)41-26-23(34)22(33)21(32)20(40-26)14-38-24(35)16-8-4-2-5-9-16/h2-11,18-23,26,31-34H,12-15H2,1H3/t18-,19+,20+,21+,22-,23-,26-,28-,29+,30-/m0/s1

InChIKey

ZHQGREQIJCCKHT-ZYFRJKQGSA-N

LogP

0.34979999999999944

Topological Polar Surface Area

178.28 Ų

Hydrogen Bond Donor/Acceptor

4 / 12

Complexity

1050

Synonyms & References

English

  • Paeonivayin
  • Benzoylalbiflorin

FAQ

What regulatory guidelines apply to {(1R,3R,4R,6S,9R)-1-[(6-O-Benzoyl-beta-D-mannopyranosyl)oxy]-4-hydroxy-6-methyl-8-oxo-7-oxatricyclo[4.3.0.0~3,9~]non-9-yl}methyl benzoate (CAS: 184103-78-4)?

The regulatory guidelines for this compound include the Chemicals of Potential Concern (COPC) list under REACH regulations, as well as FDA and EPA guidelines for the handling and use of pharmaceutical intermediates. This compound should be stored and transported in compliance with the Globally Harmonized System of Classification and Labelling of Chemicals (GHS).

Are there alternatives to {(1R,3R,4R,6S,9R)-1-[(6-O-Benzoyl-beta-D-mannopyranosyl)oxy]-4-hydroxy-6-methyl-8-oxo-7-oxatricyclo[4.3.0.0~3,9~]non-9-yl}methyl benzoate (CAS: 184103-78-4) in synthesis?

Alternative reagents such as {(1R,3R,4R,6S,9R)-1-[(6-O-Benzoyl-beta-D-mannopyranosyl)oxy]-4-hydroxy-6-methyl-8-oxo-7-oxatricyclo[4.3.0.0~3,9~]non-9-yl}methanol or other similar compounds can be used as alternatives. Isomers like (1S,3S,4S,6R,9R)-1-[(6-O-Benzoyl-beta-D-mannopyranosyl)oxy]-4-hydroxy-6-methyl-8-oxo-7-oxatricyclo[4.3.0.0~3,9~]non-9-yl}methyl benzoate can also be considered depending on the specific needs of the synthesis.

What is the market or research trend for {(1R,3R,4R,6S,9R)-1-[(6-O-Benzoyl-beta-D-mannopyranosyl)oxy]-4-hydroxy-6-methyl-8-oxo-7-oxatricyclo[4.3.0.0~3,9~]non-9-yl}methyl benzoate (CAS: 184103-78-4)?

The market for this compound is growing due to its application in pharmaceuticals and as a precursor in the synthesis of complex molecules. Research trends are focusing on its use in biosynthetic pathways and as a building block for natural products. The price trend is expected to remain stable due to its specialized use and limited demand.

How should waste containing {(1R,3R,4R,6S,9R)-1-[(6-O-Benzoyl-beta-D-mannopyranosyl)oxy]-4-hydroxy-6-methyl-8-oxo-7-oxatricyclo[4.3.0.0~3,9~]non-9-yl}methyl benzoate (CAS: 184103-78-4) be handled?

Waste containing this compound should be collected in appropriate containers and stored in a cool, dry place away from heat and ignition sources. For disposal, professional waste disposal services should be utilized to ensure proper incineration or other environmentally safe methods are employed. Special care should be taken to follow local and federal regulations regarding hazardous waste management.

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...