Cas no 30462-35-2 (Theaflavin 3,3'-digallate)
Theaflavin 3,3'-digallate Chemical and Physical Properties
Names and Identifiers
-
- 8-Gingerol
- Theaflavin 3
- Theaflavin 3,3'-di-O-gallate
- 3,4,5-Trihydroxybenzoic acid (3,4,6-trihydroxy-5-oxo-5H-benzocycloheptene-1,8-diyl)bis[(2R,3R)-3,4-dihydro-5,7-dihydroxy-2H-1-benzopyran-2,3-diyl] ester
- [(2R,3R)-2-[1-[(2R,3R)-5,7-dihydroxy-3-(3,4,5-trihydroxybenzoyl)oxy-3,4-dihydro-2H-chromen-2-yl]-3,4,5-trihydroxy-6-oxobenzo[7]annulen-8-yl]-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxy
- Theaflavin 3,3′-digallate
- THEAFLAVIN 3,3'-DIGALLATE
- THEAFLAVINE-3,3'-DIGALLATE
- theaflavin 3,3'-gallate
- theaflavin 3,3'-O-digallate
- Theaflavin-3,3'-digallate
- theaflavin-3,3'-di-O-gallate
- TF3
- 8-GINGEROL, HPLC 98%
- 3,4,6-Trihydroxy-1,8-bis[[(2R)-3,4-dihydro-3α-(3,4,5-trihydroxybenzoyloxy)-5,7-dihydroxy-2H-1-benzopyran]-2α-yl]-5H-benzocycloheptene-5-one
- 3,4,6-Trihydroxy-1,8-bis[[(2R)-3,4-dihydro-5,7-dihydroxy-3α-(3,4,5-trihydroxybenzoyloxy)-2H-1-benzopyran]-2α-yl]-5H-benzocycloheptene-5-one
- 8-Gingerol Hplc
- Theaflavin digallate; Theaflavine-3,3'-digallate
- Theaflavin digallate
- Theaflavin 3,3'-digallate
-
- MDL： MFCD06797365
- 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
- InChI Key： ZEASWHWETFMWCV-ISBUVJFSSA-N
- SMILES： O([C@@H]1CC2=C(C=C(O)C=C2O[C@@H]1C1C=C(O)C(O)=C2C(C(O)=CC([C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3OC(C3C=C(O)C(O)=C(O)C=3)=O)=CC=12)=O)O)C(C1C=C(O)C(O)=C(O)C=1)=O
Computed Properties
- Exact Mass: 868.14900
- Monoisotopic Mass: 868.14869341g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 13
- Hydrogen Bond Acceptor Count: 20
- Heavy Atom Count: 63
- Rotatable Bond Count: 8
- Complexity: 1950
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 4
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3
- Topological Polar Surface Area: 351?2
Experimental Properties
- Color/Form: Powder
- Density: 2.0±0.1 g/cm3
- Melting Point: Not available
- Boiling Point: 1324.7±65.0 °C at 760 mmHg
- Flash Point: 402.9±27.8 °C
- Solubility: DMSO：41.67 mg/mL（47.97 mM；需要超聲波）
- PSA: 351.12000
- LogP: 4.17640
- pka: 6.55±0.20(Predicted)
- Vapor Pressure: 0.0±0.3 mmHg at 25°C
Theaflavin 3,3'-digallate Security Information
- Signal Word：warning
- Hazard Statement： H303+H313+H333
- Warning Statement： P264+P280+P305+P351+P338+P337+P313
- Hazardous Material transportation number：NONH for all modes of transport
- WGK Germany：3
- Safety Instruction： H303+H313+H333
- Storage Condition：storage at -4℃ (1-2weeks), longer storage period at -20℃ (1-2years)
Theaflavin 3,3'-digallate Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| MedChemExpress | HY-N1992-10mM*1mLinDMSO |
Theaflavin 3,3'-digallate |
30462-35-2 | 99.73% | 10mM*1mLinDMSO |
￥3278 | 2022-05-18 | |
| MedChemExpress | HY-N1992-5mg |
Theaflavin 3,3'-digallate |
30462-35-2 | 99.73% | 5mg |
￥2020 | 2024-04-18 | |
| MedChemExpress | HY-N1992-10mg |
Theaflavin 3,3'-digallate |
30462-35-2 | 99.73% | 10mg |
￥3430 | 2024-04-18 | |
| ChemFaces | CFN99130-20mg |
Theaflavin 3,3'-di-O-gallate |
30462-35-2 | >=98% | 20mg |
$398 | 2021-07-22 | |
| ChemScence | CS-0018313-5mg |
Theaflavin 3,3'-digallate |
30462-35-2 | 99.73% | 5mg |
$222.0 | 2022-04-27 | |
| ChemScence | CS-0018313-10mg |
Theaflavin 3,3'-digallate |
30462-35-2 | 99.73% | 10mg |
$377.0 | 2022-04-27 | |
| DC Chemicals | DCJ-020-20 mg |
8-Gingerol |
30462-35-2 | >98%, Standard References Grade | 20mg |
$280.0 | 2022-03-01 | |
| XI GE MA AO DE LI QI （ SHANG HAI ） MAO YI Co., Ltd. | PHL83344-10MG |
Theaflavin 3,3'-digallate |
30462-35-2 | 10mg |
￥6828.91 | 2023-09-09 | ||
| XI GE MA AO DE LI QI （ SHANG HAI ） MAO YI Co., Ltd. | 92223-1MG |
Theaflavin 3,3'-digallate |
30462-35-2 | analytical standard | 1MG |
￥8710.81 | 2022-02-23 | |
| SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd. | G76270-10mg |
[(2R,3R)-2-[1-[(2R,3R)-5,7-dihydroxy-3-(3,4,5-trihydroxybenzoyl)oxy-3,4-dihydro-2H-chromen-2-yl]-3,4,5-trihydroxy-6-oxobenzo[7]annulen-8-yl]-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate |
30462-35-2 | ,HPLC≥98% | 10mg |
￥2378.0 | 2023-09-07 |
Theaflavin 3,3'-digallate Suppliers
Audited Supplier
Audited Supplier
Theaflavin 3,3'-digallate Related Literature
-
Yike Jiang,Weiping Jin,Jessica Li,Qingrong Huang Food Funct. 2021 12 7390
-
Gediminas Mikutis,Hande Karak?se,Rakesh Jaiswal,Adam LeGresley,Tuhidul Islam,Marcelo Fernandez-Lahore,Nikolai Kuhnert Food Funct. 2013 4 328
-
Lingli Sun,Shuai Wen,Qiuhua Li,Xingfei Lai,Ruohong Chen,Zhenbiao Zhang,Junxi Cao,Shili Sun Food Funct. 2022 13 4421
-
4. Oolong tea extract alleviates weight gain in high-fat diet-induced obese rats by regulating lipid metabolism and modulating gut microbiotaYen-Chen Tung,Zhi-Rong Liang,Meei-Ju Yang,Chi-Tang Ho,Min-Hsiung Pan Food Funct. 2022 13 2846
-
Himangshu Deka,Podma Pollov Sarmah,Arundhuti Devi,Pradip Tamuly,Tanmoy Karak RSC Adv. 2021 11 11457
Additional information on Theaflavin 3,3'-digallate
Theaflavin 3,3'-digallate (CAS No. 30462-35-2): A Comprehensive Overview of Its Chemistry, Biology, and Emerging Applications
Theaflavin 3,3'-digallate, a naturally occurring polyphenol derivative, is renowned for its significant role in the chemistry and biology of tea plant extracts. This compound is formally identified by its Chemical Abstracts Service (CAS) number 30462-35-2, which serves as a unique identifier in scientific literature and industrial applications. Theaflavin 3,3'-digallate is primarily synthesized during the fermentation process of tea leaves, where the oxidation of catechins leads to the formation of this complex polygalloylated flavanol.
The structural complexity of Theaflavin 3,3'-digallate arises from its galloylation at both the 3-position and the 3'-position of the flavanol backbone. This unique structure imparts remarkable stability and bioactivity, making it a subject of extensive research in various fields, including nutraceuticals, pharmaceuticals, and food science. The compound's molecular formula, C30H18O16, reflects its high oxygen content and polyphenolic nature, which contribute to its antioxidant properties.
In recent years, Theaflavin 3,3'-digallate has garnered significant attention due to its multifaceted biological activities. Studies have demonstrated its potent antioxidant capacity, which is attributed to its ability to scavenge free radicals and inhibit oxidative stress-related enzymes. This property has been particularly relevant in the context of chronic diseases associated with inflammation and oxidative damage.
Emerging research highlights the role of Theaflavin 3,3'-digallate in modulating metabolic pathways. For instance, preclinical studies have shown that it can influence glucose metabolism by enhancing insulin sensitivity in adipose tissues. This effect is particularly intriguing given the rising prevalence of type 2 diabetes worldwide. The compound's interaction with cellular receptors and enzymes has been extensively investigated to elucidate its mechanisms of action.
Beyond its metabolic benefits, Theaflavin 3,3'-digallate has demonstrated potential in cancer prevention and therapy. Its ability to induce apoptosis in cancer cells while sparing healthy cells has been a focal point of several investigations. Additionally, its anti-inflammatory properties have been explored in conditions such as arthritis and inflammatory bowel disease (IBD), where it may help mitigate symptoms by reducing pro-inflammatory cytokine production.
The pharmacokinetics of Theaflavin 3,3'-digallate have also been a subject of interest. Research indicates that it exhibits good bioavailability when consumed orally, with absorption occurring primarily in the small intestine. Once absorbed, it undergoes metabolic transformations that enhance its bioactivity while minimizing potential side effects. This understanding is crucial for optimizing dosages and delivery methods in therapeutic applications.
In industrial applications, Theaflavin 3,3'-digallate is widely utilized as a natural colorant and antioxidant in food products. Its stability under various processing conditions makes it an attractive option for enhancing both the nutritional value and visual appeal of beverages and confections. Furthermore, its role in preventing browning reactions in foods has been well-documented.
The extraction and synthesis of Theaflavin 3,3'-digallate have been refined over time to ensure high purity and yield. Modern techniques such as high-performance liquid chromatography (HPLC) are commonly employed for purification purposes. Additionally, biotechnological approaches involving enzymatic catalysis have been explored as sustainable alternatives to traditional chemical synthesis.
The regulatory landscape surrounding Theaflavin 3,3'-digallate is favorable for food-grade applications due to its Generally Recognized As Safe (GRAS) status in several regions. However, further studies are needed to fully understand its long-term effects at higher doses or in vulnerable populations such as children or pregnant women.
In conclusion,Theaflavin 3,3'-digallate (CAS No. 30462-35-2) represents a fascinating compound with broad applications across multiple domains. Its unique chemical structure underpins its remarkable biological activities ranging from antioxidant effects to metabolic regulation and anti-cancer properties. As research continues to uncover new facets of this polyphenol derivative,Theaflavin 3,3'-digallate is poised to play an increasingly significant role in both preventive health strategies and therapeutic interventions.
