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Home > Encyclopedia > [9-(chloromethyl)-8,9-dihydroxy-3,6-dimethylidene-2-oxo-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-4-yl] 2-ethoxy-3-hydroxy-2-methylpropanoate

[9-(chloromethyl)-8,9-dihydroxy-3,6-dimethylidene-2-oxo-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-4-yl] 2-ethoxy-3-hydroxy-2-methylpropanoate

[9-(chloromethyl)-8,9-dihydroxy-3,6-dimethylidene-2-oxo-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-4-yl] 2-ethoxy-3-hydroxy-2-methylpropanoate structure

[9-(chloromethyl)-8,9-dihydroxy-3,6-dimethylidene-2-oxo-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-4-yl] 2-ethoxy-3-hydroxy-2-methylpropanoate 

structure
  • CAS No:

    54278-79-4

  • Formula:

    C21H29ClO8

  • Chemical Name:

    [9-(chloromethyl)-8,9-dihydroxy-3,6-dimethylidene-2-oxo-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-4-yl] 2-ethoxy-3-hydroxy-2-methylpropanoate

  • Synonyms:

    chlorohyssopifolin D;Chlorohyssopifolin D;54278-79-4;BRN 0589514;DTXSID40969304;Propanoic acid, 2-ethoxy-3-hydroxy-2-methyl-, 9-(chloromethyl)dodecahydro-8,9-dihydroxy-3,6-bis(methylene)-2-oxoazuleno(4,5-b)furan-4-yl ester;9-(Chloromethyl)-8,9-dihydroxy-3,6-dimethylidene-2-oxododecahydroazuleno[4,5-b]furan-4-yl 2-ethoxy-3-hydroxy-2-methylpropanoate

[9-(chloromethyl)-8,9-dihydroxy-3,6-dimethylidene-2-oxo-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-4-yl] 2-ethoxy-3-hydroxy-2-methylpropanoate Basic Attributes

444.9 g/mol

444.1550956 g/mol

Characteristics

123 Ų

Drug Information

chlorohyssopifolin D

Computed Properties

Molecular Weight:444.9
XLogP3:0.5
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:7
Exact Mass:444.1550956
Monoisotopic Mass:444.1550956
Topological Polar Surface Area:123
Heavy Atom Count:30
Complexity:753
Undefined Atom Stereocenter Count:8
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Guide of [9-(chloromethyl)-8,9-dihydroxy-3,6-dimethylidene-2-oxo-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-4-yl] 2-ethoxy-3-hydroxy-2-methylpropanoate

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