Products 122547-72-2

CAS 122547-72-2 is the registry number for Soraphen A. Offered by: Chemat Brand. Available pack sizes: on request.

Structural formula: {0} (CAS {1})

Soraphen A is a macrolide and an agent highly effective against plant-pathogenic fungi. It was extensively researched for agricultural use until it was discovered to be a teratogen. It has a role as a teratogenic agent, an EC 6.4.1.2 (acetyl-CoA carboxylase) inhibitor and a bacterial metabolite. It is a macrolide, an ether, a cyclic hemiketal and an olefinic compound.

Source: ChEBI

Identity
Molecular formulaC29H44O8
Molecular weight520.7 g/mol
IUPAC name(1R,2S,5S,10S,11R,12E,14S,15S,16S,17S,18R)-1,17-dihydroxy-10,11,18-trimethoxy-2,14,16-trimethyl-5-phenyl-4,19-dioxabicyclo[13.3.1]nonadec-12-en-3-one
InChIKeyWPMGNXPRKGXGBO-OFQQMTDKSA-N
SMILESC[C@H]1/C=C/[C@H]([C@H](CCCC[C@H](OC(=O)[C@H]([C@@]2([C@@H]([C@H]([C@@H]([C@H]1O2)C)O)OC)O)C)C3=CC=CC=C3)OC)OC

Computed by PubChem (NCBI)