Tereticornate A
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Tereticornate A
structure -
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CAS No:
149751-81-5
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Formula:
C40H54O6
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Chemical Name:
Tereticornate A
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Synonyms:
Tereticornate A;Urs-11-en-28-oic acid,13-hydroxy-3-[[(2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propenyl]oxy]-, g-lactone, (3b)- (9CI)
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CAS No:
Characteristics
82.06000
9.60
1.19±0.1 g/cm3(Predicted)
715.5±60.0 °C(Predicted)
213.9±26.4 °C
1.590
Computed Properties
Molecular Weight:630.9
XLogP3:9.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:5
Exact Mass:630.39203944
Monoisotopic Mass:630.39203944
Topological Polar Surface Area:82.1
Heavy Atom Count:46
Complexity:1320
Defined Atom Stereocenter Count:7
Undefined Atom Stereocenter Count:4
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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