(2R,2'R,2''R,2'''R,3R,3'R,3''R,3'''R,4R,4'R,4''S)-2,2',2'',2'''-Tetrakis(3,4-dihydroxyphenyl)-3,3',3'',3''',4,4',4'',4'''-octahydro-2H,2'H,2''H,2'''H-4,8':4',8'':4'',8'''-quaterchromene-3,3',3'',3''', 5,5',5'',5''',7,7',7'',7'''-dodecol

Basic Information

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CAS Number

86631-38-1

Molecular Formula

C60H50O24

Molecular Weight

1155.04 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

Solubility

Methanol

SMILES

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c1cc(c(cc1[C@@H]2[C@@H](Cc3c(cc(c(c3O2)[C@H]4c5c(cc(c(c5O[C@@H]([C@@H]4O)c6ccc(c(c6)O)O)[C@H]7c8c(cc(c(c8O[C@@H]([C@@H]7O)c9ccc(c(c9)O)O)[C@H]1c2c(cc(cc2O[C@@H]([C@@H]1O)c1ccc(c(c1)O)O)O)O)O)O)O)O)O)O)O)O)O

InChI

InChI=1S/C60H50O24/c61-23-13-34(71)42-41(14-23)81-55(20-2-6-26(63)31(68)10-20)51(78)48(42)44-36(73)17-38(75)46-50(53(80)57(83-59(44)46)22-4-8-28(65)33(70)12-22)47-39(76)18-37(74)45-49(52(79)56(84-60(45)47)21-3-7-27(64)32(69)11-21)43-35(72)16-29(66)24-15-40(77)54(82-58(24)43)19-1-5-25(62)30(67)9-19/h1-14,16-18,40,48-57,61-80H,15H2/t40-,48-,49+,50-,51-,52-,53-,54-,55-,56-,57-/m1/s1

InChIKey

QFLMUASKTWGRQE-JNIIMKSASA-N

LogP

5.892799999999976

Topological Polar Surface Area

441.5200000000001 Å²

Hydrogen Bond Donor/Acceptor

20 / 24

Safety Information

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Storage Conditions

-20℃

Synonyms & References

English

(2R,2'R,2''R,2'''R,3R,3'R,3''R,3'''R,4R,4'R,4''S)-2,2',2'',2'''-tetrakis(3,4-dihydroxyphenyl)-3,3',3'',3''',4,4',4'',4'''-octahydro-2H,2'H,2''H,2'''H-4,8':4',8'':4'',8'''-quaterchromene-3,3',3'',3''',5,5',5'',5''',7,7',7'',7'''-dodecol
[4,8':4',8'':4'',8'''-quater-2H-1-benzopyran]-3,3',3'',3''',5,5',5'',5''',7,7',7'',7'''-dodecol, 2,2',2'',2'''-tetrakis(3,4-dihydroxyphenyl)-3,3',3'',3''',4,4',4'',4'''-octahydro-, (2R,2'R,2''R,2'''R,3R,3'R,3''R,3'''R,4R,4'R,4''S)-
(2R,2'R,2''R,2'''R,3R,3'R,3''R,3'''R,4R,4'R,4''S)-2,2',2'',2'''-tetrakis(3,4-dihydroxyphenyl)-3,3',3'',3''',4,4',4'',4'''-octahydro-2H,2'H,2''H,2'''H-4,8':4',8'':4'',8'''-quaterchromene-3,3',3'',3''',
Cinnamtannin I
Epicatechin tetramer
Cinnamtannin I,Epicatechin tetramer

FAQ

What are the physical and chemical properties of (2R,2'R,2''R,2'''R,3R,3'R,3''R,3'''R,4R,4'R,4''S)-2,2',2'',2'''-Tetrakis(3,4-dihydroxyphenyl)-3,3',3'',3''',4,4',4'',4'''-octahydro-2H,2'H,2''H,2'''H-4,8':4',8'':4'',8'''-quaterchromene-3,3',3'',3''',5,5',5'',5''',7,7',7'',7'''-dodecol (CAS: 86631-38-1)?

The compound is a crystalline solid with a molecular weight of approximately 1200 g/mol. It has poor solubility in common organic solvents like ethanol and acetone but is slightly soluble in water. Chemically, it is reactive towards bases and reducing agents. It exhibits chromophoric properties, which can be exploited in spectroscopic studies and dye applications.

How is (2R,2'R,2''R,2'''R,3R,3'R,3''R,3'''R,4R,4'R,4''S)-2,2',2'',2'''-Tetrakis(3,4-dihydroxyphenyl)-3,3',3'',3''',4,4',4'',4'''-octahydro-2H,2'H,2''H,2'''H-4,8':4',8'':4'',8'''-quaterchromene-3,3',3'',3''',5,5',5'',5''',7,7',7'',7'''-dodecol (CAS: 86631-38-1) typically synthesized?

The compound is synthesized through a multistep protocol involving the condensation of 3,4-dihydroxyphenyl groups followed by cyclization and oxidation. Common catalysts include palladium-based catalysts, and the reaction typically exhibits high selectivity with yields up to 75%. Detailed synthesis procedures are available in academic journals.

What industries use (2R,2'R,2''R,2'''R,3R,3'R,3''R,3'''R,4R,4'R,4''S)-2,2',2'',2'''-Tetrakis(3,4-dihydroxyphenyl)-3,3',3'',3''',4,4',4'',4'''-octahydro-2H,2'H,2''H,2'''H-4,8':4',8'':4'',8'''-quaterchromene-3,3',3'',3''',5,5',5'',5''',7,7',7'',7'''-dodecol (CAS: 86631-38-1)?

This compound is used in pharmaceuticals for its chromophoric and antioxidant properties, in polymers for its light-stabilizing effects, and in sensors for its ability to detect specific chemicals. It is also of interest in semiconductor applications for its electronic and optical properties.

What precautions should be taken when handling (2R,2'R,2''R,2'''R,3R,3'R,3''R,3'''R,4R,4'R,4''S)-2,2',2'',2'''-Tetrakis(3,4-dihydroxyphenyl)-3,3',3'',3''',4,4',4'',4'''-octahydro-2H,2'H,2''H,2'''H-4,8':4',8'':4'',8'''-quaterchromene-3,3',3'',3''',5,5',5'',5''',7,7',7'',7'''-dodecol (CAS: 86631-38-1)?

Proper personal protective equipment (PPE) should be worn, including gloves, lab coat, and safety goggles. Work should be conducted in a well-ventilated area or fume hood. Spills should be cleaned up immediately with appropriate absorbents. Safety data sheets (SDS) should be consulted for detailed handling and disposal procedures.