 Home > Encyclopedia > Columbianetin acetate

Columbianetin acetate

Columbianetin acetate structure

CAS No:
23180-65-6
Formula:
C16H16O5
Chemical Name:
Columbianetin acetate
Synonyms:
2H-Furo[2,3-h]-1-benzopyran-2-one,8-[1-(acetyloxy)-1-methylethyl]-8,9-dihydro-,(8S)-;2H-Furo[2,3-h]-1-benzopyran-2-one,8,9-dihydro-8-(1-hydroxy-1-methylethyl)-,acetate;2H-Furo[2,3-h]-1-benzopyran-2-one,8-[1-(acetyloxy)-1-methylethyl]-8,9-dihydro-,(S)-;(8S)-8-[1-(Acetyloxy)-1-methylethyl]-8,9-dihydro-2H-furo[2,3-h]-1-benzopyran-2-one;Libanoridin;Columbianetin acetate;8(S)-O-Acetyl-8,9-dihydrooroselol;O-Acetylcolumbianetin;20414-81-7
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

Description

Columbianetin Acetate is a phytoalexin associated with celery (Apium graveolens) resistance to pathogens during storage. Columbianetin exhibits excellent anti-fungal and anti-inflammatory activity[1][2].

Columbianetin acetate is an acetate ester obtained by formal acetylation of the tertiary hydroxy group of 2-[(8S)-2-oxo-8,9-dihydro-2H-furo[2,3-h][1]benzopyran-8-yl]propan-2-ol. It has a role as a plant metabolite. It is a furanocoumarin and an acetate ester.

Columbianetin acetate Basic Attributes

Molecular Weight：

288.3

Exact Mass：

288.30

DSSTox ID：

DTXSID90177755

HScode：

2932999099

Characteristics

PSA：

61.8

XLogP3：

2.26

Density：

1.3±0.1 g/cm3

Boiling Point：

437.7±45.0 °C at 760 mmHg

Flash Point：

195.0±28.8 °C

Refractive Index：

1.572

Safety Information

Precautionary statement(s)：

P264, P270, P301+P312, P330, P501

Hazard Statements：

H302

Drug Information

MeSH Entry Terms：

columbianetin acetate

Computed Properties

Molecular Weight:288.29
XLogP3:2.5
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:288.09977361
Monoisotopic Mass:288.09977361
Topological Polar Surface Area:61.8
Heavy Atom Count:21
Complexity:481
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes