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Home > Encyclopedia > 5-BETA-CHOLANIC ACID-3-ALPHA-OL-7,12-DIONE METHYL ESTER

5-BETA-CHOLANIC ACID-3-ALPHA-OL-7,12-DIONE METHYL ESTER

5-BETA-CHOLANIC ACID-3-ALPHA-OL-7,12-DIONE METHYL ESTER structure

5-BETA-CHOLANIC ACID-3-ALPHA-OL-7,12-DIONE METHYL ESTER 

structure
  • CAS No:

    10538-66-6

  • Formula:

    C25H38O5

  • Chemical Name:

    5-BETA-CHOLANIC ACID-3-ALPHA-OL-7,12-DIONE METHYL ESTER

  • Synonyms:

    10538-66-6;(R)-4-((3R,5S,8R,9S,10S,13R,14S,17R)-3-Hydroxy-10,13-dimethyl-7,12-dioxo-hexadecahydro-cyclopenta[a]phenanthren-17-yl)-pentanoic acid methyl ester;7,12 Diketolithocholic acid methyl ester;SCHEMBL15537933;5-BETA-CHOLANIC ACID-3-ALPHA-OL-7,12-DIONE METHYL ESTER;CS-M3304;CS-14994;3alpha-Hydroxy-7,12-dioxo-5beta-cholane-24-oic acid methyl ester

5-BETA-CHOLANIC ACID-3-ALPHA-OL-7,12-DIONE METHYL ESTER Basic Attributes

418.57

418.272

Characteristics

80.7

3.3

160 - 161 °C (aq. methanol)

Computed Properties

Molecular Weight:418.6
XLogP3:3.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:418.27192431
Monoisotopic Mass:418.27192431
Topological Polar Surface Area:80.7
Heavy Atom Count:30
Complexity:731
Defined Atom Stereocenter Count:9
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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