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Home > Encyclopedia > [(1S,2S,3R,4R,7R,8S,12S,13S,14R,15R,16R)-2,14,15,16-tetraacetyloxy-8-chloro-3-hydroxy-4,13-dimethyl-9-methylidene-5-oxospiro[6-oxatricyclo[11.4.0.03,7]heptadecane-17,2'-oxirane]-12-yl] acetate

[(1S,2S,3R,4R,7R,8S,12S,13S,14R,15R,16R)-2,14,15,16-tetraacetyloxy-8-chloro-3-hydroxy-4,13-dimethyl-9-methylidene-5-oxospiro[6-oxatricyclo[11.4.0.03,7]heptadecane-17,2'-oxirane]-12-yl] acetate

[(1S,2S,3R,4R,7R,8S,12S,13S,14R,15R,16R)-2,14,15,16-tetraacetyloxy-8-chloro-3-hydroxy-4,13-dimethyl-9-methylidene-5-oxospiro[6-oxatricyclo[11.4.0.03,7]heptadecane-17,2'-oxirane]-12-yl] acetate structure

[(1S,2S,3R,4R,7R,8S,12S,13S,14R,15R,16R)-2,14,15,16-tetraacetyloxy-8-chloro-3-hydroxy-4,13-dimethyl-9-methylidene-5-oxospiro[6-oxatricyclo[11.4.0.03,7]heptadecane-17,2'-oxirane]-12-yl] acetate 

structure
  • CAS No:

    134887-84-6

  • Formula:

    C30H39ClO14

  • Chemical Name:

    [(1S,2S,3R,4R,7R,8S,12S,13S,14R,15R,16R)-2,14,15,16-tetraacetyloxy-8-chloro-3-hydroxy-4,13-dimethyl-9-methylidene-5-oxospiro[6-oxatricyclo[11.4.0.03,7]heptadecane-17,2'-oxirane]-12-yl] acetate

  • Synonyms:

    Gemmacolide A;134887-84-6;(-)-Gemmacolide A;DTXSID10928802;4-Chloro-13a-hydroxy-1,8a-dimethyl-5-methylidene-2-oxotetradecahydro-2H-spiro[benzo[4,5]cyclodeca[1,2-b]furan-12,2'-oxirane]-8,9,10,11,13-pentayl pentaacetate

[(1S,2S,3R,4R,7R,8S,12S,13S,14R,15R,16R)-2,14,15,16-tetraacetyloxy-8-chloro-3-hydroxy-4,13-dimethyl-9-methylidene-5-oxospiro[6-oxatricyclo[11.4.0.03,7]heptadecane-17,2'-oxirane]-12-yl] acetate Basic Attributes

659.1 g/mol

658.2028336 g/mol

Characteristics

191 Ų

Computed Properties

Molecular Weight:659.1
XLogP3:0.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:14
Rotatable Bond Count:10
Exact Mass:658.2028336
Monoisotopic Mass:658.2028336
Topological Polar Surface Area:191
Heavy Atom Count:45
Complexity:1300
Defined Atom Stereocenter Count:11
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Guide of [(1S,2S,3R,4R,7R,8S,12S,13S,14R,15R,16R)-2,14,15,16-tetraacetyloxy-8-chloro-3-hydroxy-4,13-dimethyl-9-methylidene-5-oxospiro[6-oxatricyclo[11.4.0.03,7]heptadecane-17,2'-oxirane]-12-yl] acetate

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