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10538-66-6

10538-66-6 structural image
Product Name: 5-BETA-CHOLANIC ACID-3-ALPHA-OL-7,12-DIONE METHYL ESTER
Formula: C25H38O5
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COMPUTED DESCRIPTORS

Molecular Weight 418.6 g/mol
XLogP3 3.3
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 5
Exact Mass 418.27192431 g/mol
Monoisotopic Mass 418.27192431 g/mol
Topological Polar Surface Area 80.7 Ų
Heavy Atom Count 30
Formal Charge 0
Complexity 731
Isotope Atom Count 0
Defined Atom Stereocenter Count 9
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

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