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13289-18-4

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Basic Information
CAS No.: 13289-18-4
Name: HELLEBRIN
Molecular Structure:
Molecular Structure of 13289-18-4 (HELLEBRIN)
Formula: C36H52 O15
Molecular Weight: 724.8
Synonyms: Hellebrin(6CI,7CI,8CI); Corelborin; Corelborin p; Korelborin; Korelborin P; NSC 93134
Density: 1.5g/cm3
Melting Point: 283-284°
Boiling Point: 931°Cat760mmHg
Flash Point: 288.1°C
Safety: A deadly poison by intravenous and intraperitoneal routes. When heated to decomposition it emits acrid smoke and fumes.
PSA: 246.04000
LogP: -0.78820
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Chemistry

IUPAC Name: (3S,5S,8R,9S,10S,13R,14S,17R)-3-[(2R,3R,4S,5R,6S)-3,4-Dihydroxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5,14-dihydroxy-13-methyl-17-(6-oxopyran-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde
Molecular Formula: C36H52O15
Molecular Weight: 724.88g/mol
Density: 1.5g/cm3
Melting Point: 283–284°C
Boiling Point: 931°C at 760mmHg
Flash Point: 288.1°C
Properties: crystals from hot methanol. 
Freely Rotating Bonds: 15
Polar Surface Area: 154.13 Å2
Index of Refraction: 1.647
Molar Refractivity: 175.21 cm3
Molar Volume: 481.8 cm3
Polarizability: 69.46 ×10-24 cm3
Surface Tension: 81 dyne/cm
Enthalpy of Vaporization: 153.67 kJ/mol
Vapour Pressure: 0 mmHg at 25°C 
Solubility: soluble in dil alc; less soluble in methanol, ethanol;  Practically insoluble in ether.
The Cas Register Number  of Hellegrigenin glucorhamnoside is 13289-18-4.The chemical synonyms of Hellegrigenin glucorhamnoside (CAS NO.13289-18-4) are Helleborus sp ; Hellebrin ; Hellebrin, helleborus sp ; 14-Dihydroxy-19-oxo--mannopyranosyl)oxy)- ; 5-Beta-bufa-20,22-dienolide,3-beta-((6-deoxy-4-o-beta-d-glucopyranosyl-alpha-l ; Hellebrigenin-gluco-rhamnosid ; Hellebrigeninglucorhamnoside ; 3β-[(4-O-β-D-Glucopyranosyl-6-deoxy-α-L-mannopyranosyl)oxy]-5,14-dihydroxy-19-oxo-5β-bufa-20,22-dienolide ; 3β-[[4-O-(β-D-Glucopyranosyl)-6-deoxy-α-L-mannopyranosyl]oxy]-5β,14-dihydroxy-19-oxo-5β-bufa-20,22-dienolide .The molecular structure of Hellegrigenin glucorhamnoside (CAS NO.13289-18-4) is.

Uses

 Hellegrigenin glucorhamnoside (CAS NO.13289-18-4) is used as pharmaceutical.

Toxicity Data With Reference

1.    

ivn-rat LD50:21 mg/kg

     AIPTAK    Archives Internationales de Pharmacodynamie et de Therapie. 155 (1965),165.
2.    

ipr-mus LD50:8400 µg/kg

     AIPTAK    Archives Internationales de Pharmacodynamie et de Therapie. 155 (1965),165.
3.    

ivn-cat LD50:104 µg/kg

     JPETAB    Journal of Pharmacology and Experimental Therapeutics. 99 (1950),395.
4.    

ivn-gpg LDLo:616 µg/kg

     AEPPAE    Naunyn-Schmiedeberg’s Archiv fuer Experimentelle Pathologie und Pharmakologie. 252 (1966),314.

Safety Profile

A deadly poison by intravenous and intraperitoneal routes. When heated to decomposition it emits acrid smoke and fumes.