(2R,2aR,7R,7aR,12S,12aS)-2,7,12-Tris(4-hydroxyphenyl)-2,2a,7,7a,12,12a-hexahydrobis[1]benzofuro[3',4':4,5,6;3'',4'':7,8,9]cyclonona[1,2,3-cd][1]benzofuran-4,9,14-triol

Basic Information

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CAS Number

62218-13-7

Molecular Formula

C42H30O9

Molecular Weight

678.69 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Physical State

Powder

Boiling Point

°Cat760mmHg

Density

1.517

Solubility

N/A

Refractive Index

1.768

SMILES

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c1cc(ccc1[C@@H]2[C@H]3c4cc(cc5c4[C@@H](c6cc(cc7c6[C@@H](c8c3c(cc(c8)O)O2)[C@@H](O7)c9ccc(cc9)O)O)[C@@H](O5)c1ccc(cc1)O)O)O

InChI

InChI=1S/C42H30O9/c43-22-7-1-19(2-8-22)40-37-28-13-25(46)17-32-35(28)39(42(50-32)21-5-11-24(45)12-6-21)30-15-27(48)18-33-36(30)38(29-14-26(47)16-31(49-40)34(29)37)41(51-33)20-3-9-23(44)10-4-20/h1-18,37-48H/t37-,38-,39+,40+,41+,42-/m1/s1

InChIKey

KUTVNHOAKHJJFL-ZSIJVUTGSA-N

LogP

8.030399999999998

Topological Polar Surface Area

149.07 Å²

Hydrogen Bond Donor/Acceptor

6 / 9

Complexity

1080

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Storage Conditions

2-8℃

Synonyms & References

English

alpha-Viniferin
Cyclonona[1,2,3-cd:4,5,6-c'd':7,8,9-c''d'']- trisbenzofuran-4,9,14-triol,2,2a,7,7a,12,12ahexahydro- 2,7,12-tris(4-hydroxyphenyl)-,(2R,2aR,7R,7aR,12S,12aS)-rel-(+)-
Cyclonona[1,2,3-cd:4,5,6-c'd':7,8,9-c''d'']- trisbenzofuran-4,9,14-triol,2,2a,7,7a,12,12ahexah...
α-Viniferin
(+)-alpha-viniferin
[ "" ]

MDL Number

MFCD09970467

FAQ

What regulatory guidelines apply to (2R,2aR,7R,7aR,12S,12aS)-2,7,12-Tris(4-hydroxyphenyl)-2,2a,7,7a,12,12a-hexahydrobis[1]benzofuro[3',4':4,5,6;3'',4'':7,8,9]cyclonona[1,2,3-cd][1]benzofuran-4,9,14-triol (CAS: 62218-13-7)?

The compound (2R,2aR,7R,7aR,12S,12aS)-2,7,12-Tris(4-hydroxyphenyl)-2,2a,7,7a,12,12a-hexahydrobis[1]benzofuro[3',4':4,5,6;3'',4'':7,8,9]cyclonona[1,2,3-cd][1]benzofuran-4,9,14-triol (CAS: 62218-13-7) should comply with the Globally Harmonized System (GHS) for classification and labeling of chemicals. In the European Union, it must adhere to the REACH regulations, which require detailed information on its properties and potential risks. Additionally, the FDA and EPA may have specific guidelines related to its use in pharmaceuticals and environmental releases, respectively.

Are there alternatives to (2R,2aR,7R,7aR,12S,12aS)-2,7,12-Tris(4-hydroxyphenyl)-2,2a,7,7a,12,12a-hexahydrobis[1]benzofuro[3',4':4,5,6;3'',4'':7,8,9]cyclonona[1,2,3-cd][1]benzofuran-4,9,14-triol (CAS: 62218-13-7) in synthesis?

Alternative reagents for the synthesis of (2R,2aR,7R,7aR,12S,12aS)-2,7,12-Tris(4-hydroxyphenyl)-2,2a,7,7a,12,12a-hexahydrobis[1]benzofuro[3',4':4,5,6;3'',4'':7,8,9]cyclonona[1,2,3-cd][1]benzofuran-4,9,14-triol (CAS: 62218-13-7) include simpler analogs and isomers that can be easier to synthesize. Commonly used alternatives include various phenolic compounds and substituted benzofurans, which can serve as effective building blocks in similar chemical pathways.

What is the market or research trend for (2R,2aR,7R,7aR,12S,12aS)-2,7,12-Tris(4-hydroxyphenyl)-2,2a,7,7a,12,12a-hexahydrobis[1]benzofuro[3',4':4,5,6;3'',4'':7,8,9]cyclonona[1,2,3-cd][1]benzofuran-4,9,14-triol (CAS: 62218-13-7)?

The market and research trends for (2R,2aR,7R,7aR,12S,12aS)-2,7,12-Tris(4-hydroxyphenyl)-2,2a,7,7a,12,12a-hexahydrobis[1]benzofuro[3',4':4,5,6;3'',4'':7,8,9]cyclonona[1,2,3-cd][1]benzofuran-4,9,14-triol (CAS: 62218-13-7) are driven by its unique chemical structure and potential applications in pharmaceuticals and materials science. Research is focusing on its use as a precursor for the development of new drugs and functional materials. Market trends indicate growing interest due to its specific properties and its ability to be tailored for various applications.

How should waste containing (2R,2aR,7R,7aR,12S,12aS)-2,7,12-Tris(4-hydroxyphenyl)-2,2a,7,7a,12,12a-hexahydrobis[1]benzofuro[3',4':4,5,6;3'',4'':7,8,9]cyclonona[1,2,3-cd][1]benzofuran-4,9,14-triol (CAS: 62218-13-7) be handled?

Waste containing (2R,2aR,7R,7aR,12S,12aS)-2,7,12-Tris(4-hydroxyphenyl)-2,2a,7,7a,12,12a-hexahydrobis[1]benzofuro[3',4':4,5,6;3'',4'':7,8,9]cyclonona[1,2,3-cd][1]benzofuran-4,9,14-triol (CAS: 62218-13-7) should be collected in appropriate containers and stored in a well-ventilated area. Disposal should follow local waste regulations, which may require professional chemical waste disposal services. Environmental precautions include minimizing impact on water and soil, and proper incineration or chemical treatment to ensure safe disposal.