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Home > Encyclopedia > 3α-hydroxy-6-ethyl-7-keto-5β-cholan-24-oicacid

3α-hydroxy-6-ethyl-7-keto-5β-cholan-24-oicacid

3α-hydroxy-6-ethyl-7-keto-5β-cholan-24-oicacid structure

3α-hydroxy-6-ethyl-7-keto-5β-cholan-24-oicacid 

structure
  • CAS No:

    915038-26-5

  • Formula:

    C26H42O4

  • Chemical Name:

    3α-hydroxy-6-ethyl-7-keto-5β-cholan-24-oicacid

  • Synonyms:

    Obeticholic Acid Intermediate G;Intermediate 3;3α-hydroxy-6-ethyl-7-keto-5β-cholan-24-oic acid;3α-hydroxy-6-ethyl-7-keto-5β-cholan-24-oic acid-o;(3alpha,5beta,6alpha)-6-Ethyl-3-hydroxy-7-oxocholan-24-oic acid;(3α,5β,6α)--6-Ethyl-3-hydroxy-7-oxocholan-24-oic acid;Obeticholic acid intermediate 4;(3α,5β,6α)-6-ethyl-3-hydroxy-7-oxo-cholan-24-oic acid (BTC-B1)

  • Categories:

    Organic Chemistry  >  Organic Fluorine Compound

3α-hydroxy-6-ethyl-7-keto-5β-cholan-24-oicacid Basic Attributes

418.62

418.30830982

1592732-453-0

5Q3EE9PB98

Characteristics

74.60000

5.32220

1.087±0.06 g/cm3

561.5±25.0 °C(Predicted)

4.76±0.10

Computed Properties

Molecular Weight:418.6
XLogP3:5.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:418.30830982
Monoisotopic Mass:418.30830982
Topological Polar Surface Area:74.6
Heavy Atom Count:30
Complexity:689
Defined Atom Stereocenter Count:10
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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