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Home > Encyclopedia > [(3S,4R,6R,7R,8S,9R,10R,13S,14R)-7-chloro-4,6,9,14-tetrahydroxy-5,5,9,14-tetramethyl-2-oxo-3-tetracyclo[11.2.1.01,10.04,8]hexadecanyl] acetate

[(3S,4R,6R,7R,8S,9R,10R,13S,14R)-7-chloro-4,6,9,14-tetrahydroxy-5,5,9,14-tetramethyl-2-oxo-3-tetracyclo[11.2.1.01,10.04,8]hexadecanyl] acetate

[(3S,4R,6R,7R,8S,9R,10R,13S,14R)-7-chloro-4,6,9,14-tetrahydroxy-5,5,9,14-tetramethyl-2-oxo-3-tetracyclo[11.2.1.01,10.04,8]hexadecanyl] acetate structure

[(3S,4R,6R,7R,8S,9R,10R,13S,14R)-7-chloro-4,6,9,14-tetrahydroxy-5,5,9,14-tetramethyl-2-oxo-3-tetracyclo[11.2.1.01,10.04,8]hexadecanyl] acetate 

structure
  • CAS No:

    35318-78-6

  • Formula:

    C22H33ClO7

  • Chemical Name:

    [(3S,4R,6R,7R,8S,9R,10R,13S,14R)-7-chloro-4,6,9,14-tetrahydroxy-5,5,9,14-tetramethyl-2-oxo-3-tetracyclo[11.2.1.01,10.04,8]hexadecanyl] acetate

  • Synonyms:

    BRN 2024792;2-Chloro-7-keto-dihydrolyoniol-A;35318-78-6;7,9a-Methano-9aH-cyclopenta(b)heptalen-10(1H)-one, dodecahydro-11-(acetyloxy)-3-chloro-2,4,8,11a-tetrahydroxy-1,1,4,8-tetramethyl-, (2R-(2-alpha,3-beta,3a-beta,4-beta,4a-alpha,7-beta,8-beta,9a-beta,11-alpha,11a-alpha))-

[(3S,4R,6R,7R,8S,9R,10R,13S,14R)-7-chloro-4,6,9,14-tetrahydroxy-5,5,9,14-tetramethyl-2-oxo-3-tetracyclo[11.2.1.01,10.04,8]hexadecanyl] acetate Basic Attributes

444.9 g/mol

444.1914811 g/mol

Characteristics

124 Ų

Computed Properties

Molecular Weight:444.9
XLogP3:0.6
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:2
Exact Mass:444.1914811
Monoisotopic Mass:444.1914811
Topological Polar Surface Area:124
Heavy Atom Count:30
Complexity:800
Defined Atom Stereocenter Count:9
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Guide of [(3S,4R,6R,7R,8S,9R,10R,13S,14R)-7-chloro-4,6,9,14-tetrahydroxy-5,5,9,14-tetramethyl-2-oxo-3-tetracyclo[11.2.1.01,10.04,8]hexadecanyl] acetate

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