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Strigol

Strigol structure

CAS No:
11017-56-4
Formula:
C19H22O6
Chemical Name:
Strigol
Synonyms:
2H-Indeno[1,2-b]furan-2-one,3-[[[(2R)-2,5-dihydro-4-methyl-5-oxo-2-furanyl]oxy]methylene]-3,3a,4,5,6,7,8,8b-octahydro-5-hydroxy-8,8-dimethyl-,(3E,3aR,5S,8bS)-;Strigol;2H-Indeno[1,2-b]furan-2-one,3-[[(2,5-dihydro-4-methyl-5-oxo-2-furanyl)oxy]methylene]-3,3a,4,5,6,7,8,8b-octahydro-5-hydroxy-8,8-dimethyl-,[3aR-[3E(R*),3aα,5β,8bα]]-;(3E,3aR,5S,8bS)-3-[[[(2R)-2,5-Dihydro-4-methyl-5-oxo-2-furanyl]oxy]methylene]-3,3a,4,5,6,7,8,8b-octahydro-5-hydroxy-8,8-dimethyl-2H-indeno[1,2-b]furan-2-one;(+)-Strigol
Categories:
Organic Chemistry > Lactones

Description

Strigol is a strigolactone in which the tricyclic lactone moiety bears a hydroxy substitutuent at the position para to the gem-dimethyl group. It is a strigolactone, a secondary alcohol and an indenofuran.

Strigol Basic Attributes

Molecular Weight：

346.37400

Exact Mass：

346.37

UNII：

7I81Q4NS29

DSSTox ID：

DTXSID8074449

Characteristics

PSA：

82.06000

XLogP3：

2.13890

Density：

1.34g/cm3

Boiling Point：

643.4ºC

Flash Point：

235.6ºC

Refractive Index：

1.594

Vapor Pressure：

2.85E-19mmHg at 25°C

Drug Information

MeSH Entry Terms：

(+)-orobanchyl acetate

Computed Properties

Molecular Weight:346.4
XLogP3:1.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:2
Exact Mass:346.14163842
Monoisotopic Mass:346.14163842
Topological Polar Surface Area:82.1
Heavy Atom Count:25
Complexity:741
Defined Atom Stereocenter Count:4
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes