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| CAS No.: | 21967-41-9 |
|---|---|
| Name: | Baicalin |
| Molecular Structure: | |
|
|
|
| Formula: | C21H18O11 |
| Molecular Weight: | 446.367 |
| Synonyms: | (2S,3S,4S,5R,6S)-6-(5,6-dihydroxy-4-oxo-2-phenyl-chromen-7-yl)oxy-3,4,5-trihydroxy-oxane-2-carboxylic acid;5,6-dihydroxy-4-oxo-2-phenyl-4H-1-benzopyran-7-yl beta-D-glucopyranosiduronic acid;Baicalein 7-O-glucuronide;7-D-glucuronic acid-5,6-dihydroxyflavone;TJN-151;baicalin, Baical Skullcap Root extract; |
| EINECS: | 606-866-1 |
| Density: | 1.737 g/cm3 |
| Melting Point: | 231-233 °C(lit.) |
| Boiling Point: | 836.6 °C at 760 mmHg |
| Flash Point: | 297.2 °C |
| Appearance: | Yellow powder |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 187.12000 |
| LogP: | 0.14220 |
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5,6-Diacetoxy-7-hydroxyflavon-7-O-(2,3,4-tri-O-acetyl-β-D-glucopyranosiduronsaeure-methylester)
- 21967-41-9
baicalin
- 491-67-8
5,6,7-trihydroxy-2-phenyl-4H-1-benzopyran-4-one
- 2616-64-0
UDP-glucuronic acid
- 21967-41-9
baicalin
| Conditions | Yield |
|---|---|
| With Tris-HCl buffer; UDP-glucuronate: baicalein 7-O-glucuronosyltransferase In water at 37℃; pH=7.5; Enzyme kinetics; Esterification; Enzymatic reaction; |
- 67047-05-6
4-oxo-2-phenyl-4H-1-benzopyran-5,6,7-triyl triacetate
- 21967-41-9
baicalin
| Conditions | Yield |
|---|---|
| Multi-step reaction with 4 steps 1: 68 percent / K2CO3, KI / acetone / 4 h / Heating 2: 60 percent / H2 / Pd/C / acetone 3: 41 percent View Scheme |
- 57820-69-6
(3R,4S,5S,6S)-2-bromo-6-(methoxycarbonyl)tetrahydro-2H-pyran-3,4,5-triyl triacetate
- 21967-41-9
baicalin
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: 41 percent View Scheme |
- 67047-07-8
5,6-diacetoxy-7-hydroxyflavone
- 21967-41-9
baicalin
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: 41 percent View Scheme |
- 67047-06-7
7-(benzyloxy)-4-oxo-2-phenyl-4H-1-benzopyran-5,6-diyl diacetate
- 21967-41-9
baicalin
| Conditions | Yield |
|---|---|
| Multi-step reaction with 3 steps 1: 60 percent / H2 / Pd/C / acetone 2: 41 percent View Scheme |
| Conditions | Yield |
|---|---|
| In water at 20℃; Equilibrium constant; |
| Conditions | Yield |
|---|---|
| In methanol at 20℃; for 8.5h; Inert atmosphere; | 96.1% |
| at 25℃; for 10h; Time; |
| Conditions | Yield |
|---|---|
| at 63℃; for 0.95h; pH=5.8; Temperature; pH-value; | 96.06% |
| Conditions | Yield |
|---|---|
| In aq. acetate buffer at 63℃; for 0.95h; pH=5.8; pH-value; Temperature; | 95.87% |
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Chemistry
The Molecular Structure of Baicalin (CAS NO.21967-41-9):
Empirical Formula: C21H18O11
Molecular Weight: 446.361
Nominal Mass: 446 Da
IUPAC Name: (2S,3S,4S,5R,6S)-6-(5,6-dihydroxy-4-oxo-2-phenylchromen-7-yl)oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Average Mass: 446.361 Da
Monoisotopic Mass: 446.084911 Da
Index of Refraction: 1.739
Molar Refractivity: 103.55 cm3
Molar Volume: 256.8 cm3
Surface Tension: 103.3 dyne/cm
Density: 1.737 g/cm3
Flash Point: 297.2 °C
Enthalpy of Vaporization: 127.43 kJ/mol
Boiling Point: 836.6 °C at 760 mmHg
Vapour Pressure: 1.07E-29 mmHg at 25°C
Melting Point: 202-205°C
Product Categories: Tri-substituted Flavones;Biochemistry;Flavonoids;Glycosides;Sugars;Natural Plant Extract;The group of Scutellaria;Asymmetric Synthesis;Chiral Building Blocks;Complex Molecules
Synonyms: 7-D-Glucuronic acid-5,6-dihydroxyflavone ; beta-D-Glucopyranosiduronic acid, 5,6-dihydroxy-4-oxo-2-phenyl-4H-1-benzopyran-7-yl
Uses
Baicalin (CAS NO.21967-41-9) is a flavonoid that affects the GABA receptors. It is found in scutellaria lateriflora, also known as blue skullcap.
Safety Profile
Hazard Codes: 
Xi
Risk Statements: 36/37/38
R36/37/38: Irritating to eyes, respiratory system and skin
Safety Statements: 26-36
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
S36: Wear suitable protective clothing
WGK Germany: 3
RTECS: LZ5776910
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