Bervastatin
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Bervastatin
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CAS No:
132017-01-7
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Formula:
C28H31FO5
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Chemical Name:
Bervastatin
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Synonyms:
Bervastatin;Bervastatin [INN];SCHEMBL49336;ethyl (E,3S,5R)-7-[4-(4-fluorophenyl)spiro[chromene-2,1"-cyclopentane]-3-yl]-3,5-dihydroxyhept-6-enoate;Q27236091;UNII-057SF9C1UZ component ZADJRRFMOOACHL-WQICJITCSA-N;6-Heptenoic acid, 7-(4-(4-fluorophenyl)spiro(2H-1-benzopyran-2,1"-cyclopentan)-3-yl)-3,5-dihydroxy-, ethyl ester, (3R,5S,6E)-rel-;Ethyl (+-)-(3R*,5S*,6E)-7-(4-(p-fluorophenyl)spiro(2H-1-benzopyran-2,1"-cyclopentan)-3-yl)-3,5-dihydroxy-6-heptenoate
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CAS No:
Characteristics
76
4.95410
1.26±0.1 g/cm3(Predicted)
112-114 °C(Solv: ethyl acetate (141-78-6))
650.6±55.0 °C(Predicted)
347.3ºC
1.608
Computed Properties
Molecular Weight:466.5
XLogP3:3.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:9
Exact Mass:466.21555225
Monoisotopic Mass:466.21555225
Topological Polar Surface Area:76
Heavy Atom Count:34
Complexity:748
Defined Atom Stereocenter Count:2
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes