[(1S,5R,6S)-5-(Benzoyloxy)-1,6-dihydroxy-2-oxo-3-cyclohexen-1-yl]methyl benzoate

Basic Information

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CAS Number

193410-84-3

Molecular Formula

C21H18O7

Molecular Weight

382.37 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Physical State

Powder

Melting Point

150-152 ºC

SMILES

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O=C(OC[C@@]1(O)C(C=C[C@@H](OC(C2=CC=CC=C2)=O)[C@@H]1O)=O)C3=CC=CC=C3

InChI

InChI=1S/C21H18O7/c22-17-12-11-16(28-20(25)15-9-5-2-6-10-15)18(23)21(17,26)13-27-19(24)14-7-3-1-4-8-14/h1-12,16,18,23,26H,13H2/t16-,18+,21-/m1/s1

InChIKey

UUNZIGRBVXAOSR-PLMTUMEDSA-N

LogP

1.2999

Topological Polar Surface Area

110.13000000000002 Å²

Hydrogen Bond Donor/Acceptor

2 / 7

Complexity

616

Synonyms & References

English

((1S,5R,6S)-5-(Benzoyloxy)-1,6-dihydroxy-2-oxocyclohex-3-en-1-yl)methyl benzoate
Zeylenone
Tonkinenin A
(4R,5S,6S)-4-(Benzoyloxy)-6-[(benzoyloxy)methyl]-5,6-dihydroxy-,2-cyclohexen-1-one
(-)-Zeylenone
C21H18O7
[(1S,5R,6S)-5-(Benzoyloxy)-1,6-dihydroxy-2-oxocyclohex-3-en-1-yl]methyl benzoate
0021AB
ST24033363
((1S,5R,6S)-5-(Benzoyloxy)-1,6-dihydroxy-2-oxocyclohex-3-en-1-yl)methylbenzoate
[(1S,5R,6S)-5-benzoyloxy-1,6-dihydroxy-2-oxocyclohex-3-en-1-yl]methyl benzoate
A880267
((1S,5R,6S)-5-(Benzoyloxy)-1,6-dihydroxy-2-oxocycl

MDL Number

MFCD23701742

FAQ

What is [(1S,5R,6S)-5-(Benzoyloxy)-1,6-dihydroxy-2-oxo-3-cyclohexen-1-yl]methyl benzoate (CAS: 193410-84-3)?

[(1S,5R,6S)-5-(Benzoyloxy)-1,6-dihydroxy-2-oxo-3-cyclohexen-1-yl]methyl benzoate is a complex organic compound with the CAS number 193410-84-3. It is a white or off-white crystalline solid with a molecular formula of C21H22O5. This compound is characterized by its aromatic and hydroxyl groups, making it suitable for various applications in pharmaceuticals and research.

What are the main uses of [(1S,5R,6S)-5-(Benzoyloxy)-1,6-dihydroxy-2-oxo-3-cyclohexen-1-yl]methyl benzoate (CAS: 193410-84-3)?

[(1S,5R,6S)-5-(Benzoyloxy)-1,6-dihydroxy-2-oxo-3-cyclohexen-1-yl]methyl benzoate is primarily used in pharmaceuticals as an intermediate in the synthesis of other compounds. It also finds applications in academic research for studying organic chemistry and its properties. Additionally, it may be used in small-scale industrial processes and as a reagent in chemical synthesis.

Is [(1S,5R,6S)-5-(Benzoyloxy)-1,6-dihydroxy-2-oxo-3-cyclohexen-1-yl]methyl benzoate (CAS: 193410-84-3) safe?

[(1S,5R,6S)-5-(Benzoyloxy)-1,6-dihydroxy-2-oxo-3-cyclohexen-1-yl]methyl benzoate is generally considered safe when handled with appropriate precautions. It is important to follow safety guidelines, including the use of gloves, glasses, and appropriate ventilation. Exposure to the skin or eyes should be avoided, and it should be stored in a cool, dry place away from direct sunlight.

How should [(1S,5R,6S)-5-(Benzoyloxy)-1,6-dihydroxy-2-oxo-3-cyclohexen-1-yl]methyl benzoate (CAS: 193410-84-3) be stored?

[(1S,5R,6S)-5-(Benzoyloxy)-1,6-dihydroxy-2-oxo-3-cyclohexen-1-yl]methyl benzoate should be stored in a cool, dry place to prevent degradation. It should be kept away from direct sunlight and heat sources. Storage in a sealed container is recommended to maintain its integrity and prevent exposure to moisture. It is advisable to store this compound in a well-ventilated area to avoid the risk of inhalation exposure.