Neoquassin
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Neoquassin
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CAS No:
76-77-7
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Formula:
C22H30O6
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Chemical Name:
Neoquassin
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Synonyms:
Picrasa-2,12-diene-1,11-dione,16-hydroxy-2,12-dimethoxy-;Neoquassin;Phenanthro[10,1-bc]pyran-1,11-dione,3a,4,5,6a,7,7a,8,11a,11b,11c-decahydro-5-hydroxy-2,10-dimethoxy-3,8,11a,11c-tetramethyl-;Phenanthro[10,1-bc]pyran,picrasa-2,12-diene-1,11-dione deriv.;16-Hydroxy-2,12-dimethoxypicrasa-2,12-diene-1,11-dione;Nigakihemiacetal B;Simalikahemiacetal A;Neoquassine;NSC 139168;32727-23-4
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CAS No:
Characteristics
82.06000
1.59
1.2±0.1 g/cm3
227 °C
567.5±50.0 °C at 760 mmHg
195.5±23.6 °C
1.560
134.9 mg/L @ 25 °C (est)
Computed Properties
Molecular Weight:390.5
XLogP3:2.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:2
Exact Mass:390.20423867
Monoisotopic Mass:390.20423867
Topological Polar Surface Area:82.1
Heavy Atom Count:28
Complexity:797
Undefined Atom Stereocenter Count:8
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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