Phytolaccagenic acid
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Phytolaccagenic acid
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CAS No:
54928-05-1
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Formula:
C31H48O6
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Chemical Name:
Phytolaccagenic acid
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Synonyms:
Olean-12-ene-28,29-dioic acid,3,23-dihydroxy-,29-methyl ester,(3β,4α,20β)-;Phytolaccinic acid;Phytolaccagenic acid
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CAS No:
Characteristics
104.06000
6.14
1.2±0.1 g/cm3
143-146 °C
623.4±55.0 °C at 760 mmHg
194.1±25.0 °C
1.571
Computed Properties
Molecular Weight:516.7
XLogP3:5.5
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:4
Exact Mass:516.34508925
Monoisotopic Mass:516.34508925
Topological Polar Surface Area:104
Heavy Atom Count:37
Complexity:1020
Defined Atom Stereocenter Count:9
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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