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| Name |
Encordin |
EINECS | N/A |
| CAS No. | 1182-87-2 | Density | 1.31g/cm3 |
| PSA | 131.75000 | LogP | 2.28920 |
| Solubility | N/A | Melting Point |
161-164oC |
| Formula | C30H44 O9 | Boiling Point | 731.6°C at 760 mmHg |
| Molecular Weight | 548.674 | Flash Point | 236.2°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Poison by intravenous route. Human systemic effects by ingestion and intravenous routes: anorexia, decreased pulse rate with fall in blood pressure, and nausea or vomiting. When heated to decomposition it emits acrid smoke and fumes. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Peruvoside(6CI,7CI,8CI); Cannogenin a-L-thevetoside; Encordin; Peruvosid |
Encordin Chemical Properties
Molecule structure of Encordin (CAS NO.1182-87-2) :
IUPAC Name: (3S,5R,8R,9S,10R,13R,14S,17R)-3-[(2R,3S,4R,5S,6S)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-14-hydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-10-carbaldehyde
Molecular Weight: 548.66496 g/mol
Molecular Formula: C30H44O9
Density: 1.31 g/cm3
Melting Point: 162.5 deg C
Boiling Point: 731.6 °C at 760 mmHg
Flash Point: 236.2 °C
Index of Refraction: 1.588
Molar Refractivity: 140.22 cm3
Molar Volume: 416.5 cm3
Polarizability: 55.58*10-24 cm3
Surface Tension: 58.8 dyne/cm
Enthalpy of Vaporization: 121.92 kJ/mol
log P (octanol-water): 1.05
Water Solubility: 400 mg/L
Vapor Pressure: 1.16E-20 mm Hg
Henry's Law Constant: 2.20E-20 atm-m3/mole
Atmospheric OH Rate Constant: 1.86E-10 cm3/molecule-sec
XLogP3: 0.7
H-Bond Donor: 3
H-Bond Acceptor: 9
Rotatable Bond Count: 5
Exact Mass: 548.298533
MonoIsotopic Mass: 548.298533
Topological Polar Surface Area: 132
Heavy Atom Count: 39
Complexity: 1010
Defined Atom StereoCenter Count: 13
Isomeric SMILES: C[C@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]4[C@@H]3CC[C@]5([C@@]4(CC[C@@H]5C6=CC(=O)OC6)O)C)C=O)O)OC)O
InChIKey: PMTSPAGBAFCORP-HBUONDEYSA-N
EINECS: 214-659-9
Storage Temp.: 2-8 °C
Encordin Toxicity Data With Reference
| 1. | orl-hmn TDLo:24 µg/kg:CNS,GIT | IJEBA6 Indian Journal of Experimental Biology. 5 (1967),31. | ||
| 2. | orl-hmn TDLo:39 µg/kg/3D:CVS,GIT | IJMRAQ Indian Journal of Medical Research. 59 (1971),271. | ||
| 3. | ivn-hmn TDLo:4285 ng/kg:CVS,GIT | IJMRAQ Indian Journal of Medical Research. 59 (1971),271. | ||
| 4. | ivn-cat LD50:145 µg/kg | AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. 126 (1960),412. | ||
| 5. | ivn-gpg LDLo:710 µg/kg | AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. 126 (1960),412. | ||
| 6. | ivn-pgn LDLo:263 mg/kg | AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. 126 (1960),412. |
Encordin Safety Profile
Poison by intravenous route. Human systemic effects by ingestion and intravenous routes: anorexia, decreased pulse rate with fall in blood pressure, and nausea or vomiting. When heated to decomposition it emits acrid smoke and fumes.
Hazard Codes: 
T
Risk Statements: 23/24/25
R23/24/25: Toxic by inhalation, in contact with skin and if swallowed
Safety Statements: 36/37/39-45
S36/37/39: Wear suitable protective clothing, gloves and eye/face protection
S45: In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible)
WGK Germany: 3
RTECS: FH4915000
Encordin Specification
Encordin (CAS NO.1182-87-2) is also calledis 3-((6-Deoxy-3-O-methyl-alpha-L-glucopyranosyl)oxy)-14-hydroxy-19-oxo-card-20(22)-enolide ; Cannogenin alpha-L-thevetoside ; Peruvosid ; Peruvoside ; (3beta,5beta)-3-((6-Deoxy-3-O-methyl-alpha-L -glucopyranosyl)oxy)-14-hydroxy-19-oxocard-20(22)-enolide ; Card-20(22)-enolide, 3-((6-deoxy-3-O-methyl-alpha-L-glucopyranosyl)oxy)-14-hydroxy-19-oxo-, (3-beta,5-beta)- . Encordin (CAS NO.1182-87-2) is light yellow powder.
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