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Home > Encyclopedia > 5BETA-CHOLANIC ACID-3ALPHA,12ALPHA-DIOL 3-ACETATE METHYL ESTER

5BETA-CHOLANIC ACID-3ALPHA,12ALPHA-DIOL 3-ACETATE METHYL ESTER

5BETA-CHOLANIC ACID-3ALPHA,12ALPHA-DIOL 3-ACETATE METHYL ESTER structure

5BETA-CHOLANIC ACID-3ALPHA,12ALPHA-DIOL 3-ACETATE METHYL ESTER 

structure
  • CAS No:

    27240-83-1

  • Formula:

    C27H44O5

  • Chemical Name:

    5BETA-CHOLANIC ACID-3ALPHA,12ALPHA-DIOL 3-ACETATE METHYL ESTER

  • Synonyms:

    5beta-cholanic acid-3alpha,12alpha-diol-3-acetate methyl;5β-Cholanicacid-3α,12α-diol3-acetatemethylester;Methyl3α-acetoxy-12α-hydroxycholanate,3α,12α-Dihydroxy-5β-cholan-24-oicacidmethylester;Methyl 3α-acetoxy-12α-hydroxycholanate;3ALPHA,12ALPHA-DIHYDROXY-5BETA-CHOLAN-24-OIC ACID METHYL ESTER;3ALPHA-ACETOXY,12ALPHA-HYDROXY-5BETA-CHOLAN-24-OIC ACID METHYL ESTER;5BETA-CHOLANIC ACID-3ALPHA,12ALPHA-DIOL 3-ACETATE METHYL ESTER;METHYL DEOXYCHOLATE 3-ACETATE

5BETA-CHOLANIC ACID-3ALPHA,12ALPHA-DIOL 3-ACETATE METHYL ESTER Basic Attributes

448.64

448.318875

LB1G1D93OR

DTXSID00585100

Characteristics

72.8

Safety Information

3

Computed Properties

Molecular Weight:448.6
XLogP3:5.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:7
Exact Mass:448.31887450
Monoisotopic Mass:448.31887450
Topological Polar Surface Area:72.8
Heavy Atom Count:32
Complexity:721
Defined Atom Stereocenter Count:10
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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