[(3aR,4S,6aR,7R,8S,9S,9aS,9bS)-9-(chloromethyl)-7,8,9-trihydroxy-3,6-dimethylidene-2-oxo-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-4-yl] 2-methylprop-2-enoate
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![[(3aR,4S,6aR,7R,8S,9S,9aS,9bS)-9-(chloromethyl)-7,8,9-trihydroxy-3,6-dimethylidene-2-oxo-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-4-yl] 2-methylprop-2-enoate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/77a9de316b5f45ec8599ea02bcb85e33.png "[(3aR,4S,6aR,7R,8S,9S,9aS,9bS)-9-(chloromethyl)-7,8,9-trihydroxy-3,6-dimethylidene-2-oxo-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-4-yl] 2-methylprop-2-enoate")
[(3aR,4S,6aR,7R,8S,9S,9aS,9bS)-9-(chloromethyl)-7,8,9-trihydroxy-3,6-dimethylidene-2-oxo-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-4-yl] 2-methylprop-2-enoate
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CAS No:
106566-98-7
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Formula:
C19H23ClO7
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Chemical Name:
[(3aR,4S,6aR,7R,8S,9S,9aS,9bS)-9-(chloromethyl)-7,8,9-trihydroxy-3,6-dimethylidene-2-oxo-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-4-yl] 2-methylprop-2-enoate
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Synonyms:
106566-98-7;Chlororepdiolide;DTXSID60910035;2-Propenoic acid, 2-methyl-, 9-(chloromethyl)dodecahydro-7,8,9-trihydroxy-3,6-bis(methylene)-2-oxoazuleno(4,5-b)furan-4-yl ester, (3aR-(3aalpha,4alpha,6aalpha,7alpha,8beta,9alpha,9aalpha,9bbeta))-;9-(Chloromethyl)-7,8,9-trihydroxy-3,6-dimethylidene-2-oxododecahydroazuleno[4,5-b]furan-4-yl 2-methylprop-2-enoate
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CAS No:
[(3aR,4S,6aR,7R,8S,9S,9aS,9bS)-9-(chloromethyl)-7,8,9-trihydroxy-3,6-dimethylidene-2-oxo-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-4-yl] 2-methylprop-2-enoate Basic Attributes
398.8 g/mol
398.1132308 g/mol
Computed Properties
Molecular Weight:398.8
XLogP3:0.7
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:4
Exact Mass:398.1132308
Monoisotopic Mass:398.1132308
Topological Polar Surface Area:113
Heavy Atom Count:27
Complexity:732
Defined Atom Stereocenter Count:8
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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