GAULTHERIN
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GAULTHERIN
structure -
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CAS No:
490-67-5
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Formula:
C19H26O12
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Chemical Name:
GAULTHERIN
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Synonyms:
Monotropitin;Monotropitosid;Monotropitoside;Methylsalicylatebeta-primeveroside;2-[(6-O-beta-D-Xylopyranosyl-beta-D-glucopyranosyl)oxy]benzoicacidmethylester;methyl2-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxan-2-yl]oxybenzoate;2-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxytetrahydropyran-2-yl)oxymethyl]tetrahydropyran-2-yl]oxybenzoicacidmethylester
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CAS No:
Characteristics
184.60000
0.25
1.6±0.1 g/cm3
180℃
709.0±60.0 °C at 760 mmHg
249.2±26.4 °C
1.633
4.26E-21mmHg at 25°C
D20 -58° (c = 2)
Computed Properties
Molecular Weight:446.4
XLogP3:-2.5
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:12
Rotatable Bond Count:7
Exact Mass:446.14242626
Monoisotopic Mass:446.14242626
Topological Polar Surface Area:185
Heavy Atom Count:31
Complexity:590
Undefined Atom Stereocenter Count:9
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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