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Home > Encyclopedia > (3alpha,5beta,6alpha,12alpha)-3,12-Bis(acetyloxy)-6-bromo-7-oxocholan-24-oic acid methyl ester

(3alpha,5beta,6alpha,12alpha)-3,12-Bis(acetyloxy)-6-bromo-7-oxocholan-24-oic acid methyl ester

(3alpha,5beta,6alpha,12alpha)-3,12-Bis(acetyloxy)-6-bromo-7-oxocholan-24-oic acid methyl ester structure

(3alpha,5beta,6alpha,12alpha)-3,12-Bis(acetyloxy)-6-bromo-7-oxocholan-24-oic acid methyl ester 

structure
  • CAS No:

    10452-63-8

  • Formula:

    C29H43BrO7

  • Chemical Name:

    (3alpha,5beta,6alpha,12alpha)-3,12-Bis(acetyloxy)-6-bromo-7-oxocholan-24-oic acid methyl ester

  • Synonyms:

    ZINC123209592;Methyl (3,5,6,12)-3,12-diacetoxy-6-bromo-7-oxocholan-24-oate

(3alpha,5beta,6alpha,12alpha)-3,12-Bis(acetyloxy)-6-bromo-7-oxocholan-24-oic acid methyl ester Basic Attributes

583.55152

582.21900

Characteristics

95.97000

5.26030

1.28

Computed Properties

Molecular Weight:583.6
XLogP3:5.7
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:9
Exact Mass:582.21922
Monoisotopic Mass:582.21922
Topological Polar Surface Area:96
Heavy Atom Count:37
Complexity:935
Defined Atom Stereocenter Count:11
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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