(3Z)-3-[(2E,4E,6R)-6-[(1R,2S,3R,5R)-2,5-dimethylspiro[4,9-dioxabicyclo[3.3.1]non-7-ene-6,2'-oxirane]-3-yl]-1-hydroxy-4-methylhepta-2,4-dienylidene]pyrrolidine-2,4-dione
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![(3Z)-3-[(2E,4E,6R)-6-[(1R,2S,3R,5R)-2,5-dimethylspiro[4,9-dioxabicyclo[3.3.1]non-7-ene-6,2'-oxirane]-3-yl]-1-hydroxy-4-methylhepta-2,4-dienylidene]pyrrolidine-2,4-dione structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/5130e9909dd849b9b9d302d2ba4f23b1.png "(3Z)-3-[(2E,4E,6R)-6-[(1R,2S,3R,5R)-2,5-dimethylspiro[4,9-dioxabicyclo[3.3.1]non-7-ene-6,2'-oxirane]-3-yl]-1-hydroxy-4-methylhepta-2,4-dienylidene]pyrrolidine-2,4-dione")
(3Z)-3-[(2E,4E,6R)-6-[(1R,2S,3R,5R)-2,5-dimethylspiro[4,9-dioxabicyclo[3.3.1]non-7-ene-6,2'-oxirane]-3-yl]-1-hydroxy-4-methylhepta-2,4-dienylidene]pyrrolidine-2,4-dione
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CAS No:
114118-91-1
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Formula:
C22H27NO6
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Chemical Name:
(3Z)-3-[(2E,4E,6R)-6-[(1R,2S,3R,5R)-2,5-dimethylspiro[4,9-dioxabicyclo[3.3.1]non-7-ene-6,2'-oxirane]-3-yl]-1-hydroxy-4-methylhepta-2,4-dienylidene]pyrrolidine-2,4-dione
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Synonyms:
Tirandalydigin;
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CAS No:
(3Z)-3-[(2E,4E,6R)-6-[(1R,2S,3R,5R)-2,5-dimethylspiro[4,9-dioxabicyclo[3.3.1]non-7-ene-6,2'-oxirane]-3-yl]-1-hydroxy-4-methylhepta-2,4-dienylidene]pyrrolidine-2,4-dione Basic Attributes
401.45300
401.18383758
Computed Properties
Molecular Weight:401.5
XLogP3:2.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:4
Exact Mass:401.18383758
Monoisotopic Mass:401.18383758
Topological Polar Surface Area:97.4
Heavy Atom Count:29
Complexity:871
Defined Atom Stereocenter Count:5
Undefined Atom Stereocenter Count:1
Defined Bond Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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