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Basic Information
CAS No.: 63166-73-4
Name: phyllanthoside
Article Data: 1
Molecular Structure:
Molecular Structure of 63166-73-4 (phyllanthoside)
Formula: C40H52O17
Molecular Weight: 804.843
Synonyms: MONOSEC-BUTYLPHTHALATE;phyllantoside;(+)-phyllanthoside;(+-)-Phthalsaeure-mono-sec-butylester;(+-)-2-Butylhydrogenphtalat;(+-)-phthalic acid mono-sec-butyl ester;
Density: 1.41g/cm3
Boiling Point: 872.8oC at 760 mmHg
Flash Point: 260.4oC
Hazard Symbols: A poison.
Safety: A poison by intravenous route. When heated to decomposition it emits acrid smoke and irritating vapors.
PSA: 224.57000
LogP: 1.31250
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Chemistry

Product Name: Phyllanthoside
CAS Registry Number: 63166-73-4
Synonyms: CCRIS 670 ; NSC 328426 ; NSC-328426 ; Phylanthoside ; beta-D-Glucopyranose, 2-O-(3-O-acetyl-6-deoxy-beta-D-glucopyranosyl)-6-deoxy-, 3-acetate 1-(decahydro-5''-methyl-4''-((1-oxo-3-phenyl-2-propenyl)oxy)dispiro(oxirane- ; 2,3'(2'H)-benzofuran)-2',2''-(2H)pyran-6'-carboxylate),(2'S-(2'-alpha(4''R*(E),5''S*),3'-beta, 3'a-alpha,6'-alpha,7'a-alpha))- ; beta-D-Glucopyranose, 2-O-(3-O-acetyl-6-deoxy-beta-D-glucopyranosyl)-6-deoxy-, 3-acetate 1-(decahydro-5''-methyl-4''-((1-oxo-3-phenyl-2-propenyl)oxy)dispiro(oxirane-2,3'(2'H)-benzofuran-2',2''-(2H)pyran)-6'-carboxylate),(2'S-(2'alpha(4''R*(E),5''S*),3'beta,3'aalpha,6'alpha,7'aalpha))-
Molecular Weight: 804.83068 [g/mol]  
Molecular Formula: C40H52O17  
XLogP3-AA: 1.6  
H-Bond Donor: 3  
H-Bond Acceptor: 17
Surface Tension:  64.319 dyne/cm 
Density:  1.412 g/cm3 
Flash Point:  260.366 °C 
Enthalpy of Vaporization:  132.898 kJ/mol 
Boiling Point:  872.831 °C at 760 mmHg
Following is the molecular structure of Phyllanthoside (CAS NO.63166-73-4) is:

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LDLo intravenous 500ug/kg (0.5mg/kg) GASTROINTESTINAL: OTHER CHANGES

BLOOD: CHANGES IN BONE MARROW NOT INCLUDED ABOVE		 National Technical Information Service. Vol. PB88-131636,

Safety Profile

A poison by intravenous route. When heated to decomposition it emits acrid smoke and irritating vapors.

Specification

Descriptors computed from structure, you can know some information about Phyllanthoside (CAS NO.63166-73-4) :
Canonical SMILES: CC1COC2(CC1OC(=O)C=CC3=CC=CC=C3)C4(CO4)C5CCC(CC5O2)C(=O)OC6C(C(C((O6)C)O)OC(=O)C)OC7C(C(C(C(O7)C)O)OC(=O)C)O
Isomeric SMILES: C[C@@H]1CO[C@]2(C[C@@H]1OC(=O)/C=C/C3=CC=CC=C3)[C@]4(CO4)[C@@H]5C[C@@H](C[C@@H]5O2)C(=O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C)O)OC(=O)C)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)C)O)OC(=O)C)O
InChI: InChI=1S/C40H52O17/c1-19-17-48-40(16-28(19)54-29(43)14-11-24-9-7-6-8-10-24)39(18-49-39)26-13-12-25(15-27(26)57-40)36(47)56-38-35(34(53-23(5)42)31(45)21(3)51-38)55-37-32(46)33(52-22(4)41)30(44)20(2)50-37/h6-11,14,19-21,25-28,30-35,37-38,44-46H,12-13,15-18H2,1-5H3/b14-11+/t19-,20-,21-,25+,26-,27+,28+,30-,31-,32-,33+,34+,35-,37+,38+,39+,40+/m1/s1 
InChIKey: VOTNXJVGRXZYOA-XFJWYURVSA-N