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| CAS No.: | 81-27-6 |
|---|---|
| Name: | Sennoside A |
| Molecular Structure: | |
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| Formula: | C42H38O20 |
| Molecular Weight: | 862.752 |
| Synonyms: | SennosideA (6CI,7CI,8CI);[9,9'-Bianthracene]-2,2'-dicarboxylic acid, 5,5'-bis(b-D-glucopyranosyloxy)-9,9',10,10'-tetrahydro-4,4'-dihydroxy-10,10'-dioxo-,(R*,R*)-;Gentle Nature;Glysennid;NSC 112929; |
| EINECS: | 201-339-9 |
| Density: | 1.743 g/cm3 |
| Melting Point: | 200-240oC |
| Boiling Point: | 1144.8 °C at 760 mmHg |
| Flash Point: | 348.6 °C |
| Risk Codes: | 22 |
| Safety: | 22-45 |
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Chemistry
The Molecular Structure of (9,9'-Bianthracene)-2,2'-dicarboxylic acid, 5,5'-bis(beta-D-glucopyranosyloxy)-9,9',10,10'-tetrahydro-4,4'-dihydroxy- (CAS NO.81-27-6):
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Empirical Formula: C42H38O20
Molecular Weight: 862.7391
IUPAC: (9R)-9-[(9R)-2-carboxy-4-hydroxy-10-oxo-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9H-anthracen-9-yl]-4-hydroxy-10-oxo-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9H-anthracene-2-carboxylic acid
Nominal Mass: 862 Da
Average Mass: 862.7391 Da
Monoisotopic Mass: 862.195644 Da
Product Categories: Anthraquinones, Hydroquinones and Quinones;The group of Sennosides
Index of Refraction: 1.762
Molar Refractivity: 204.15 cm3
Molar Volume: 494.8 cm3
Surface Tension: 107.1 dyne/cm
Density: 1.743 g/cm3
Flash Point: 348.6 °C
Enthalpy of Vaporization: 176.89 kJ/mol
InChI
InChI=1/C42H38O20/c43-11-23-31(47)35(51)37(53)41(61-23)59-21-5-1-3-15-25(17-7-13(39(55)56)9-19(45)27(17)33(49)29(15)21)26-16-4-2-6-22(60-42-38(54)36(52)32(48)24(12-44)62-42)30(16)34(50)28-18(26)8-14(40(57)58)10-20(28)46/h1-10,23-26,31-32,35-38,41-48,51-54H,11-12H2,(H,55,56)(H,57,58)/t23-,24-,25-,26-,31-,32-,35+,36+,37-,38-,41-,42-/m1/s1
Smiles
c12C(c3c(cccc3O[C@H]3[C@@H]([C@H]([C@H](O)[C@H](O3)CO)O)O)[C@H](c1cc(cc2O)C(=O)O)[C@H]1c2cc(C(=O)O)cc(c2C(c2c1cccc2O[C@H]1[C@@H]([C@H]([C@H](O)[C@H](O1)CO)O)O)=O)O)=O
Safety Profile
Risk Statements: 22
R22:Harmful if swallowed
Safety Statements: 22-45
S22:Do not breathe dust
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
WGK Germany :3
F: 3-10
F 3: Hygroscopic
F 10: Keep under argon
Specification
(9,9'-Bianthracene)-2,2'-dicarboxylic acid, 5,5'-bis(beta-D-glucopyranosyloxy)-9,9',10,10'-tetrahydro-4,4'-dihydroxy- (CAS NO.81-27-6) is also called as EINECS 201-339-9 ; NSC 112929 ; 10,10'-dioxo-, (R*,R*)- ; Sennoside A .