(2R,3R)-2-(1-{(2S,3S)-5,7-Dihydroxy-3-[(3,4,5-trihydroxybenzoyl)oxy]-3,4-dihydro-2H-chromen-2-yl}-3,4,6-trihydroxy-5-oxo-5H-benzo[7]annulen-8-yl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl 3,4,5-trihyd roxybenzoate | CAS No. 33377-72-9

(2R,3R)-2-(1-{(2S,3S)-5,7-Dihydroxy-3-[(3,4,5-trihydroxybenzoyl)oxy]-3,4-dihydro-2H-chromen-2-yl}-3,4,6-trihydroxy-5-oxo-5H-benzo[7]annulen-8-yl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl 3,4,5-trihyd roxybenzoate

Basic Information

CAS Number

33377-72-9

Molecular Formula

C43H32O20

Molecular Weight

868.71 g/mol

AD

Basic Physical Properties

Physical State

Powder

c1c(cc(c(=O)c2c1c(cc(c2O)O)[C@H]3[C@H](Cc4c(cc(cc4O3)O)O)OC(=O)c5cc(c(c(c5)O)O)O)O)[C@@H]6[C@@H](Cc7c(cc(cc7O6)O)O)OC(=O)c8cc(c(c(c8)O)O)O

InChI

InChI=1S/C43H32O20/c44-17-7-23(46)21-12-33(62-42(58)15-3-25(48)36(54)26(49)4-15)40(60-31(21)9-17)14-1-19-20(11-30(53)39(57)35(19)38(56)29(52)2-14)41-34(13-22-24(47)8-18(45)10-32(22)61-41)63-43(59)16-5-27(50)37(55)28(51)6-16/h1-11,33-34,40-41,44-51,53-55,57H,12-13H2,(H,52,56)/t33-,34+,40-,41+/m1/s1

InChIKey

ZEASWHWETFMWCV-VRCJZDCUSA-N

LogP

4.1764000000000125

Topological Polar Surface Area

351.12 Ų

Hydrogen Bond Donor/Acceptor

13 / 20

Safety Information

View Safety Information

Storage Conditions

2-8℃

Synonyms & References

English

  • THEAFLAVINE-3,3'-DIGALLATE
  • theaflavin digallate
  • THEAFLAVINGALLATES
  • Theaflavine-3,3'-digallate(TFBG)
  • Teaflavin digallate
  • 3,4,5-Trihydroxybenzoic acid diester with 1,8-bis(3,4-dihydro-3,5,7-trihydroxy-2H-1-benzopyran-2-yl)-3,4,6-trihydroxy-5H-benzocyclohepten-5-one
  • Theaflavine bisgallate
  • (2R,3R)-2-(3,5-dihydroxy-6-oxo-8-[(3R)-3,5,7-trihydroxy-3,4-...
  • Theaflavine-3,3'-digallate
  • Theaflavin digallate
  • Theaflavin 3,3′-digallate
  • Theaflavin 3,3'-digallate
  • THEAFLAVIN-3,3

MDL Number

MFCD06656329

FAQ

What is (2R,3R)-2-(1-{(2S,3S)-5,7-Dihydroxy-3-[(3,4,5-trihydroxybenzoyl)oxy]-3,4-dihydro-2H-chromen-2-yl}-3,4,6-trihydroxy-5-oxo-5H-benzo[7]annulen-8-yl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl 3,4,5-trihydroxybenzoate (CAS: 33377-72-9)?

This compound is a complex organic molecule with a specific stereochemistry. It is a chromenone derivative with a unique chromen and benzo[7]annulen structure, containing multiple hydroxyl groups. It is used in research and potential pharmaceutical applications due to its functional groups and structural complexity.

What are the main uses of (2R,3R)-2-(1-{(2S,3S)-5,7-Dihydroxy-3-[(3,4,5-trihydroxybenzoyl)oxy]-3,4-dihydro-2H-chromen-2-yl}-3,4,6-trihydroxy-5-oxo-5H-benzo[7]annulen-8-yl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl 3,4,5-trihydroxybenzoate (CAS: 33377-72-9)?

This compound is primarily used in research for its structural complexity and potential biological activity. It may also be utilized in the development of new pharmaceuticals and as a starting material for the synthesis of other compounds.

Is (2R,3R)-2-(1-{(2S,3S)-5,7-Dihydroxy-3-[(3,4,5-trihydroxybenzoyl)oxy]-3,4-dihydro-2H-chromen-2-yl}-3,4,6-trihydroxy-5-oxo-5H-benzo[7]annulen-8-yl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl 3,4,5-trihydroxybenzoate (CAS: 33377-72-9) safe?

This compound is safe when handled with appropriate precautions. It is important to wear protective equipment such as gloves and goggles. Store in a cool, dry place away from direct sunlight and heat sources. Avoid contact with skin and eyes.

How should (2R,3R)-2-(1-{(2S,3S)-5,7-Dihydroxy-3-[(3,4,5-trihydroxybenzoyl)oxy]-3,4-dihydro-2H-chromen-2-yl}-3,4,6-trihydroxy-5-oxo-5H-benzo[7]annulen-8-yl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl 3,4,5-trihydroxybenzoate (CAS: 33377-72-9) be stored?

Store in a cool, dark place with a temperature controlled between 15-25°C and relative humidity below 60%. Use a tightly sealed container to prevent moisture and light exposure. Handle with care to avoid breakage and spills.

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