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88191-14-4

88191-14-4 structural image
Product Name: 3,5,9-Trihydroxyergosta-7,22-dien-6-one
Formula: C28H44O4
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COMPUTED DESCRIPTORS

Molecular Weight 444.6 g/mol
XLogP3 4.5
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 4
Exact Mass 444.32395988 g/mol
Monoisotopic Mass 444.32395988 g/mol
Topological Polar Surface Area 77.8 Ų
Heavy Atom Count 32
Formal Charge 0
Complexity 829
Isotope Atom Count 0
Defined Atom Stereocenter Count 6
Undefined Atom Stereocenter Count 3
Defined Bond Stereocenter Count 1
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes