(+)-Columbianetin
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(+)-Columbianetin
structure -
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CAS No:
3804-70-4
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Formula:
C14H14O4
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Chemical Name:
(+)-Columbianetin
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Synonyms:
2H-Furo[2,3-h]-1-benzopyran-2-one,8,9-dihydro-8-(1-hydroxy-1-methylethyl)-,(8S)-;2H-Furo[2,3-h]-1-benzopyran-2-one,8,9-dihydro-8-(1-hydroxy-1-methylethyl)-,(S)-(+)-;Columbianetin;2H-Furo[2,3-h]-1-benzopyran-2-one,8,9-dihydro-8-(1-hydroxy-1-methylethyl)-,(S)-;(8S)-8,9-Dihydro-8-(1-hydroxy-1-methylethyl)-2H-furo[2,3-h]-1-benzopyran-2-one;(+)-Columbianetin;(8S)-8-(2-Hydroxypropan-2-yl)-8,9-dihydrofuro[2,3-h]chromen-2-one;36482-92-5
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CAS No:
Description
Columbianetin is a phytoalexin associated with celery (Apium graveolens) resistance to pathogens during storage. Columbianetin exhibits excellent anti-fungal and anti-inflammatory activity[1][2].
(S)-columbianetin is the (S)-(+)-enantiomer of columbianetin. It is an enantiomer of a (R)-columbianetin.
Characteristics
55.8
1.69
1.3±0.1 g/cm3
143-145 °C @ Solvent: Ethyl acetate, Hexane
443.0±45.0 °C at 760 mmHg
171.9±22.2 °C
1.611
Computed Properties
Molecular Weight:246.26
XLogP3:1.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:246.08920892
Monoisotopic Mass:246.08920892
Topological Polar Surface Area:55.8
Heavy Atom Count:18
Complexity:387
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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