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Home > Encyclopedia > methyl (1R,2S,3R,6R,8S,13S,14R,15R,16S,17S)-4,10,11,15,16-pentahydroxy-9,13-dimethyl-3-(3-methylbutanoyloxy)-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadecane-17-carboxylate

methyl (1R,2S,3R,6R,8S,13S,14R,15R,16S,17S)-4,10,11,15,16-pentahydroxy-9,13-dimethyl-3-(3-methylbutanoyloxy)-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadecane-17-carboxylate

methyl (1R,2S,3R,6R,8S,13S,14R,15R,16S,17S)-4,10,11,15,16-pentahydroxy-9,13-dimethyl-3-(3-methylbutanoyloxy)-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadecane-17-carboxylate structure

methyl (1R,2S,3R,6R,8S,13S,14R,15R,16S,17S)-4,10,11,15,16-pentahydroxy-9,13-dimethyl-3-(3-methylbutanoyloxy)-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadecane-17-carboxylate 

structure
  • CAS No:

    81608-59-5

  • Formula:

    C26H40O11

  • Chemical Name:

    methyl (1R,2S,3R,6R,8S,13S,14R,15R,16S,17S)-4,10,11,15,16-pentahydroxy-9,13-dimethyl-3-(3-methylbutanoyloxy)-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadecane-17-carboxylate

  • Synonyms:

    81608-59-5;2-Hydroxy-2-deoxotetrahydrobrusatol lactol;Methyl 13,20-epoxy-2,3,11,12,16-pentahydroxy-15-(3-methyl-1-oxobutoxy)picrasan-21-oate;DTXSID501002084;Picrasan-21-oic acid, 13,20-epoxy-2,3,11,12,16-pentahydroxy-15-(3-methyl-1-oxobutoxy)-, methyl ester;Methyl 2,3,11,12,16-pentahydroxy-15-[(3-methylbutanoyl)oxy]-13,20-epoxypicrasan-21-oate

methyl (1R,2S,3R,6R,8S,13S,14R,15R,16S,17S)-4,10,11,15,16-pentahydroxy-9,13-dimethyl-3-(3-methylbutanoyloxy)-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadecane-17-carboxylate Basic Attributes

528.6 g/mol

528.25706209 g/mol

Characteristics

172 Ų

Computed Properties

Molecular Weight:528.6
XLogP3:0.5
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:6
Exact Mass:528.25706209
Monoisotopic Mass:528.25706209
Topological Polar Surface Area:172
Heavy Atom Count:37
Complexity:942
Defined Atom Stereocenter Count:10
Undefined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Guide of methyl (1R,2S,3R,6R,8S,13S,14R,15R,16S,17S)-4,10,11,15,16-pentahydroxy-9,13-dimethyl-3-(3-methylbutanoyloxy)-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadecane-17-carboxylate

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