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Home > Encyclopedia > [2-[(6S,8S,9R,10S,11S,13S,14S,17R)-9-bromo-11,17-dihydroxy-6,10,13-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate

[2-[(6S,8S,9R,10S,11S,13S,14S,17R)-9-bromo-11,17-dihydroxy-6,10,13-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate

[2-[(6S,8S,9R,10S,11S,13S,14S,17R)-9-bromo-11,17-dihydroxy-6,10,13-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate structure

[2-[(6S,8S,9R,10S,11S,13S,14S,17R)-9-bromo-11,17-dihydroxy-6,10,13-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate 

structure
  • CAS No:

    93052-90-5

  • Formula:

    C24H31BrO6

  • Chemical Name:

    [2-[(6S,8S,9R,10S,11S,13S,14S,17R)-9-bromo-11,17-dihydroxy-6,10,13-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate

  • Synonyms:

    93052-90-5;NSC63539;9-Bromo-11,17-dihydroxy-6-methyl-3,20-dioxopregna-1,4-dien-21-yl acetate;NSC 63539;SCHEMBL9275445;ZINC4744085;NSC-63539;Pregna-1,20-dione, 9-bromo-11.beta.,17,21-trihydroxy-6.alpha.-methyl-, 21-acetate

[2-[(6S,8S,9R,10S,11S,13S,14S,17R)-9-bromo-11,17-dihydroxy-6,10,13-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate Basic Attributes

495.4 g/mol

494.13040 g/mol

63539

Characteristics

101 Ų

Computed Properties

Molecular Weight:495.4
XLogP3:2.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:4
Exact Mass:494.13040
Monoisotopic Mass:494.13040
Topological Polar Surface Area:101
Heavy Atom Count:31
Complexity:910
Defined Atom Stereocenter Count:8
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Guide of [2-[(6S,8S,9R,10S,11S,13S,14S,17R)-9-bromo-11,17-dihydroxy-6,10,13-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate

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