[(1S,5R,6R,7S,8R,11R,13S,17S,18S,19R)-4,5,17-trihydroxy-6,14,18-trimethyl-9,16-dioxo-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadec-14-en-8-yl] 2-acetyloxy-2-methylbutanoate
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![[(1S,5R,6R,7S,8R,11R,13S,17S,18S,19R)-4,5,17-trihydroxy-6,14,18-trimethyl-9,16-dioxo-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadec-14-en-8-yl] 2-acetyloxy-2-methylbutanoate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/f2141a3b8ee647668a11286d3d5abe06.png "[(1S,5R,6R,7S,8R,11R,13S,17S,18S,19R)-4,5,17-trihydroxy-6,14,18-trimethyl-9,16-dioxo-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadec-14-en-8-yl] 2-acetyloxy-2-methylbutanoate")
[(1S,5R,6R,7S,8R,11R,13S,17S,18S,19R)-4,5,17-trihydroxy-6,14,18-trimethyl-9,16-dioxo-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadec-14-en-8-yl] 2-acetyloxy-2-methylbutanoate
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CAS No:
33957-83-4
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Formula:
C27H36O11
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Chemical Name:
[(1S,5R,6R,7S,8R,11R,13S,17S,18S,19R)-4,5,17-trihydroxy-6,14,18-trimethyl-9,16-dioxo-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadec-14-en-8-yl] 2-acetyloxy-2-methylbutanoate
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Synonyms:
2'-Acetylglaucarubinone;33957-83-4;DTXSID30955539;Picras-3-ene-2,16-dione, 15-(2-(acetyloxy)-2-methyl-1-oxobutoxy)-11,20-epoxy-1,11,12-trihydroxy-, (1beta,11beta,12alpha,14beta)-;1,11,12-Trihydroxy-2,16-dioxo-11,20-epoxypicras-3-en-15-yl 2-(acetyloxy)-2-methylbutanoate
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CAS No:
[(1S,5R,6R,7S,8R,11R,13S,17S,18S,19R)-4,5,17-trihydroxy-6,14,18-trimethyl-9,16-dioxo-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadec-14-en-8-yl] 2-acetyloxy-2-methylbutanoate Basic Attributes
536.6 g/mol
536.22576196 g/mol
Computed Properties
Molecular Weight:536.6
XLogP3:0.7
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:6
Exact Mass:536.22576196
Monoisotopic Mass:536.22576196
Topological Polar Surface Area:166
Heavy Atom Count:38
Complexity:1130
Defined Atom Stereocenter Count:10
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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