Thevetin
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Thevetin
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CAS No:
11018-93-2
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Formula:
C42H66O18
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Chemical Name:
Thevetin
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Synonyms:
Thevetin;Cardanolide,thevetin deriv.;Theventin;1329-75-5
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CAS No:
Characteristics
273
1.39
1.1533 (rough estimate)
192 °C
696.85°C (rough estimate)
298.1±27.8 °C
1.6240 (estimate)
Computed Properties
Molecular Weight:859.0
XLogP3:-1.6
Hydrogen Bond Donor Count:9
Hydrogen Bond Acceptor Count:18
Rotatable Bond Count:10
Exact Mass:858.42491525
Monoisotopic Mass:858.42491525
Topological Polar Surface Area:273
Heavy Atom Count:60
Complexity:1570
Defined Atom Stereocenter Count:22
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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