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Home > Encyclopedia > 7α,12α-Dihydroxy-3-oxo-4-cholen-24-oic acid

7α,12α-Dihydroxy-3-oxo-4-cholen-24-oic acid

7α,12α-Dihydroxy-3-oxo-4-cholen-24-oic acid structure

7α,12α-Dihydroxy-3-oxo-4-cholen-24-oic acid 

structure
  • CAS No:

    13587-11-6

  • Formula:

    C24H36O5

  • Chemical Name:

    7α,12α-Dihydroxy-3-oxo-4-cholen-24-oic acid

  • Synonyms:

    Chol-4-en-24-oic acid,7,12-dihydroxy-3-oxo-,(7α,12α)-;Chol-4-en-24-oic acid,7α,12α-dihydroxy-3-oxo-;Chol-4-enic acid,7α,12α-dihydroxy-3-oxo-;(7α,12α)-7,12-Dihydroxy-3-oxochol-4-en-24-oic acid;7α,12α-Dihydroxy-3-oxo-Δ4-cholenoic acid;7α,12α-Dihydroxy-3-oxochol-4-enoic acid;7α,12α-Dihydroxy-3-oxo-4-cholen-24-oic acid;13587-01-4

  • Categories:

    Pharmaceutical Intermediates  >  Bulk Drug Intermediates

Description

Solid


Solid


7alpha,12alpha-dihydroxy-3-oxochol-4-en-24-oic acid is a 7alpha-hydroxy steroid, a 12alpha-hydroxy steroid and a 3-oxo-Delta(4) steroid. It derives from a chol-4-en-24-oic acid. It is a conjugate acid of a 7alpha,12alpha-dihydroxy-3-oxochol-4-en-24-oate.

7α,12α-Dihydroxy-3-oxo-4-cholen-24-oic acid Basic Attributes

404.547

404.54

Characteristics

94.8

3.57700

Solid

231-233 °C

7α,12α-Dihydroxy-3-oxo-4-cholen-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:404.5
XLogP3:2.9
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:404.25627424
Monoisotopic Mass:404.25627424
Topological Polar Surface Area:94.8
Heavy Atom Count:29
Complexity:729
Defined Atom Stereocenter Count:9
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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