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Home > Encyclopedia > 12-(Acetyloxy)-3,6-dihydroxy-7-oxocholan-24-oic acid methyl ester

12-(Acetyloxy)-3,6-dihydroxy-7-oxocholan-24-oic acid methyl ester

12-(Acetyloxy)-3,6-dihydroxy-7-oxocholan-24-oic acid methyl ester structure

12-(Acetyloxy)-3,6-dihydroxy-7-oxocholan-24-oic acid methyl ester 

structure
  • CAS No:

    133181-56-3

  • Formula:

    C27H42O7

  • Chemical Name:

    12-(Acetyloxy)-3,6-dihydroxy-7-oxocholan-24-oic acid methyl ester

  • Synonyms:

    Methyl (20R)-12-acetoxy-3,6-dihydroxy-7-oxocholan-24-oate

12-(Acetyloxy)-3,6-dihydroxy-7-oxocholan-24-oic acid methyl ester Basic Attributes

478.61818

478.29300

Characteristics

110.13000

3.28690

1.19

Computed Properties

Molecular Weight:478.6
XLogP3:3.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:7
Exact Mass:478.29305367
Monoisotopic Mass:478.29305367
Topological Polar Surface Area:110
Heavy Atom Count:34
Complexity:826
Defined Atom Stereocenter Count:7
Undefined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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