Ostruthol
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Ostruthol
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CAS No:
642-08-0
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Formula:
C21H22O7
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Chemical Name:
Ostruthol
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Synonyms:
2-Butenoic acid,2-methyl-,(1R)-2-hydroxy-2-methyl-1-[[(7-oxo-7H-furo[3,2-g][1]benzopyran-4-yl)oxy]methyl]propyl ester,(2Z)-;Ostruthol;Crotonic acid,2-methyl-,2-ester with 4-(2,3-dihydroxy-3-methylbutoxy)-7H-furo[3,2-g][1]benzopyran-7-one,(Z)-(-)-;2-Butenoic acid,2-methyl-,2-hydroxy-2-methyl-1-[[(7-oxo-7H-furo[3,2-g][1]benzopyran-4-yl)oxy]methyl]propyl ester,[R-(Z)]-;5-Benzofuranacrylic acid,4-(2,3-dihydroxy-3-methylbutoxy)-6-hydroxy-,δ-lactone,2-angelate;7H-Furo[3,2-g][1]benzopyran,2-butenoic acid deriv.;Ostrutol;Osthrutol;20052-69-1;26091-75-8
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CAS No:
Description
ChEBI: A natural product found in Peucedanum ostruthium.
Ostruthol is a furanocoumarin. It has a role as a metabolite.
Computed Properties
Molecular Weight:386.4
XLogP3:3.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:7
Exact Mass:386.13655304
Monoisotopic Mass:386.13655304
Topological Polar Surface Area:95.2
Heavy Atom Count:28
Complexity:666
Defined Atom Stereocenter Count:1
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes