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Home > Encyclopedia > (3α,5α,12α)-3,12-Dihydroxycholan-24-oic acid

(3α,5α,12α)-3,12-Dihydroxycholan-24-oic acid

(3α,5α,12α)-3,12-Dihydroxycholan-24-oic acid structure

(3α,5α,12α)-3,12-Dihydroxycholan-24-oic acid 

structure
  • CAS No:

    1912-55-6

  • Formula:

    C24H40O4

  • Chemical Name:

    (3α,5α,12α)-3,12-Dihydroxycholan-24-oic acid

  • Synonyms:

    Cholan-24-oic acid,3,12-dihydroxy-,(3α,5α,12α)-;5α-Cholan-24-oic acid,3α,12α-dihydroxy-;(3α,5α,12α)-3,12-Dihydroxycholan-24-oic acid;Allodeoxycholic acid;5α-Deoxycholic acid;3α,12α-Dihydroxy-5α-cholanoic acid;5α-Allodeoxycholic acid

Description

Allodeoxycholic acid is an allo-bile acid that is 5alpha-cholan-24-oic acid bearing two alpha-hydroxy substituents at position 3 and 12. It has a role as a marine metabolite, a rat metabolite and a xenobiotic metabolite. It is an allo-bile acid, a 12alpha-hydroxy steroid, a 3alpha-hydroxy steroid and a C24-steroid. It is a conjugate acid of an allodeoxycholate.

(3α,5α,12α)-3,12-Dihydroxycholan-24-oic acid Basic Attributes

392.58

392.57

Characteristics

77.8

4.9

210 °C

(3α,5α,12α)-3,12-Dihydroxycholan-24-oic acid Use and Manufacturing

Lipids -> Sterol Lipids [ST] -> Bile acids and derivatives [ST04] -> C24 bile acids, alcohols, and derivatives [ST0401]

Computed Properties

Molecular Weight:392.6
XLogP3:4.9
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:392.29265975
Monoisotopic Mass:392.29265975
Topological Polar Surface Area:77.8
Heavy Atom Count:28
Complexity:605
Defined Atom Stereocenter Count:10
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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