(1S,4R,5R,7S,11R,13S,16S,17S,18S,19R)-4,5,16,17-tetrahydroxy-14,18-dimethyl-6-methylidene-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadec-14-en-9-one
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![(1S,4R,5R,7S,11R,13S,16S,17S,18S,19R)-4,5,16,17-tetrahydroxy-14,18-dimethyl-6-methylidene-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadec-14-en-9-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/a327c7a4c60844cf8f78ac2599199de7.png "(1S,4R,5R,7S,11R,13S,16S,17S,18S,19R)-4,5,16,17-tetrahydroxy-14,18-dimethyl-6-methylidene-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadec-14-en-9-one")
(1S,4R,5R,7S,11R,13S,16S,17S,18S,19R)-4,5,16,17-tetrahydroxy-14,18-dimethyl-6-methylidene-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadec-14-en-9-one
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CAS No:
89353-91-3
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Formula:
C20H26O7
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Chemical Name:
(1S,4R,5R,7S,11R,13S,16S,17S,18S,19R)-4,5,16,17-tetrahydroxy-14,18-dimethyl-6-methylidene-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadec-14-en-9-one
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Synonyms:
Shinjulactone A;89353-91-3;DTXSID201008764;Picrasa-3,13(21)-dien-16-one, 11,20-epoxy-1,2,11,12-tetrahydroxy-, (1beta,2alpha,11beta,12alpha);1,2,11,12-Tetrahydroxy-11,20-epoxypicrasa-3,13(21)-dien-16-one;Picrasa-3,13(21)-dien-16-one, 11,20-epoxy-1,2,11,12-tetrahydroxy-, (1.beta.,2.alpha.,11.beta.,12.alpha.)
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CAS No:
(1S,4R,5R,7S,11R,13S,16S,17S,18S,19R)-4,5,16,17-tetrahydroxy-14,18-dimethyl-6-methylidene-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadec-14-en-9-one Basic Attributes
378.4 g/mol
378.16785316 g/mol
Computed Properties
Molecular Weight:378.4
XLogP3:-1.5
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:7
Exact Mass:378.16785316
Monoisotopic Mass:378.16785316
Topological Polar Surface Area:116
Heavy Atom Count:27
Complexity:776
Defined Atom Stereocenter Count:10
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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