4-Hydroxy-5-(4-hydroxyphenyl)-1-methyl-3-[(2S,5R,6R)-tetrahydro-5-methyl-6-[(1E,3R,5S)-1,3,5-trimethyl-1-hepten-1-yl]-2H-pyran-2-yl]-2(1H)-pyridinone
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![4-Hydroxy-5-(4-hydroxyphenyl)-1-methyl-3-[(2S,5R,6R)-tetrahydro-5-methyl-6-[(1E,3R,5S)-1,3,5-trimethyl-1-hepten-1-yl]-2H-pyran-2-yl]-2(1H)-pyridinone structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/26a09d4989284514a0ee8c968b725c83.png "4-Hydroxy-5-(4-hydroxyphenyl)-1-methyl-3-[(2S,5R,6R)-tetrahydro-5-methyl-6-[(1E,3R,5S)-1,3,5-trimethyl-1-hepten-1-yl]-2H-pyran-2-yl]-2(1H)-pyridinone")
4-Hydroxy-5-(4-hydroxyphenyl)-1-methyl-3-[(2S,5R,6R)-tetrahydro-5-methyl-6-[(1E,3R,5S)-1,3,5-trimethyl-1-hepten-1-yl]-2H-pyran-2-yl]-2(1H)-pyridinone
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CAS No:
160047-56-3
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Formula:
C28H39NO4
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Chemical Name:
4-Hydroxy-5-(4-hydroxyphenyl)-1-methyl-3-[(2S,5R,6R)-tetrahydro-5-methyl-6-[(1E,3R,5S)-1,3,5-trimethyl-1-hepten-1-yl]-2H-pyran-2-yl]-2(1H)-pyridinone
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Synonyms:
2(1H)-Pyridinone,4-hydroxy-5-(4-hydroxyphenyl)-1-methyl-3-[(2S,5R,6R)-tetrahydro-5-methyl-6-[(1E,3R,5S)-1,3,5-trimethyl-1-hepten-1-yl]-2H-pyran-2-yl]-;2(1H)-Pyridinone,4-hydroxy-5-(4-hydroxyphenyl)-1-methyl-3-[(2S,5R,6R)-tetrahydro-5-methyl-6-[(1E,3R,5S)-1,3,5-trimethyl-1-heptenyl]-2H-pyran-2-yl]-;4-Hydroxy-5-(4-hydroxyphenyl)-1-methyl-3-[(2S,5R,6R)-tetrahydro-5-methyl-6-[(1E,3R,5S)-1,3,5-trimethyl-1-hepten-1-yl]-2H-pyran-2-yl]-2(1H)-pyridinone;Sambutoxin;(-)-Sambutoxin
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CAS No:
4-Hydroxy-5-(4-hydroxyphenyl)-1-methyl-3-[(2S,5R,6R)-tetrahydro-5-methyl-6-[(1E,3R,5S)-1,3,5-trimethyl-1-hepten-1-yl]-2H-pyran-2-yl]-2(1H)-pyridinone Basic Attributes
453.623
453.61
Computed Properties
Molecular Weight:453.6
XLogP3:5.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:7
Exact Mass:453.28790873
Monoisotopic Mass:453.28790873
Topological Polar Surface Area:70
Heavy Atom Count:33
Complexity:790
Defined Atom Stereocenter Count:5
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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4-Hydroxy-5-(4-hydroxyphenyl)-1-methyl-3-[(2S,5R,6R)-tetrahydro-5-methyl-6-[(1E,3R,5S)-1,3,5-trimethyl-1-hepten-1-yl]-2H-pyran-2-yl]-2(1H)-pyridinone
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