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Basic information
- CAS
79907-44-1- Standard SMILES
O=C(O[C@@H]1[C@@H](c2c(O)cc(O)c3c2O[C@H](c2ccc(O)c(O)c2)[C@H](OC(=O)c2cc(O)c(O)c(O)c2)C3)c2c(O)cc(O)cc2O[C@@H]1c1ccc(O)c(O)c1)c1cc(O)c(O)c(O)c1- InChIKey
KTLUHRSHFRODPS-RIQPQZJCSA-N- Molecular formula
- C44H34O20
- Average molar mass
- 882.736 g/mol
- Monoisotopic mass
- 882.16434349
Names & identifiers
- Preferred name
- 3,3′-Digalloylprocyanidin B2
- IUPAC
- (2R,2'R,3R,3'R)-2,2'-Bis(3,4-dihydroxyphenyl)-5,5',7,7'-tetrahydroxy-3,3',4,4'-tetrahydro-2H,2'H-[4,8'-bi-1-benzopyran]-3,3'-diyl bis(3,4,5-trihydroxybenzoate)
- English name
- [(2R,3R,4R)-2-(3,4-dihydroxyphenyl)-4-[(2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-(3,4,5-trihydroxybenzoyl)oxy-chroman-8-yl]-5,7-dihydroxy-chroman-3-yl] 3,4,5-trihydroxybenzoate
- Molecular formula
- C44H34O20
- Molecular weight
- 882.73
Names & synonyms
Aids082250Aids-082250Procyanidin B2 3,3'-di-O-gallateProanthocyanidin B2 3,3'-o-gallateProcyanidin B2 3,3'-di-O-gallate (>Procyanidin B2 3,3'-di-O-gallate (>80%)(2R,3R)-3-o-Galloylepicatechin-4.beta.,8-[(2R,3R)-3-o-galloylepicatechin](2R,2'R,3R,3'R,4R)-2,2'-bis(3,4-dihydroxyphenyl)-5,5',7,7'-tetrahydroxy-[4,8'-bichroman]-3,3'-diyl bis(3,4,5-trihydroxybenzoate)Benzoic acid, 3,4,5-trihydroxy-, (2R,2'R,3R,3'R,4R)-2,2'-bis(3,4-dihydroxyphenyl)-3,3',4,4'-tetrahydro-5,5',7,7'-tetrahydroxy[4,8'-bi-2H-1-benzopyran]-3,3'-diyl ester[(2R,3R,4R)-2-(3,4-dihydroxyphenyl)-4-[(2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-(3,4,5-trihydroxybenzoyl)oxy-chroman-8-yl]-5,7-dihydroxy-chroman-3-yl] 3,4,5-trihydroxybenzoate
Database identifiers
- CAS
79907-44-1- PubChem CID
- 124016
- DTXSID
DTXSID101000836- ChEMBL
CHEMBL39504
Properties
Physicochemical properties
- Melting point
- 160 °C · >160°C (dec.)
- Boiling point
- 1211.7 · 1211.7±65.0 °C(Predicted)
- Density
- 1.96 · 1.96±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C · Hygroscopic, -20°C Freezer, Under inert atmosphere
- solubility
- Acetone (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 8.38 · 8.38±0.15(Predicted)
- color
- Pale Orange to Light Brown
- Stability
- Hygroscopic
Chemistry & industry
Applications
UsesProcyanidin B2 3,3''-di-O-gallate is an important compound whose activity results in the inhibition of growth pertaining to human prostate carcinoma cell lines. Coming from the group of compounds known as flavonoids, Procyanidin B2 3,3''-di-O-gallate shows interesting biological activities relating to various human cancer diseases.
UsesProcyanidin B2 3,3'-di-O-gallate is an important compound whose activity results in the inhibition of growth pertaining to human prostate carcinoma cell lines. Coming from the group of compounds known as flavonoids, Procyanidin B2 3,3'-di-O-gallate shows interesting biological activities relating to various human cancer diseases.
Suppliers23 total
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
成都彼样生物科技有限公司18108052721 · [email protected]
成都普睿法药物研发有限公司82633860 18982077548 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
成都普思生物科技股份有限公司028-85370565-229 18080489829 · [email protected]
佛山宝诺生物科技有限公司0757-85921206 18520245316 · [email protected]
云南西力生物技术股份有限公司0871-65217109 · [email protected]
Labnetwork lnc.+86-27-50766799 +86-18062016861 · [email protected]
雷丁试剂0510-85629785 18013409632 · [email protected]
Related reactions
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Compound notes
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