Spektraris NMR

Common Name: Mesquitol-(4α→5)-epimesquitol-4β-ol octa-O-methylether Triacetate

Synonyms: [4,​5'-​Bi-​2H-​1-​benzopyran]​-​3,​3',​4'-​triol, 2,​2'-​bis(3,​4-​dimethoxyphenyl)​-​3,​3',​4,​4'-​tetrahydro-​7,​7',​8,​ 8'-​tetramethoxy-​, 3,​3',​4'-​triacetate, (2R,​2'R,​3S,​3'S,​4R,​4'S)​-

CAS Registry Number: 1006904-60-4

InChI:

InChIKey:

Formula: C44H48O16

Molecular Weight: 832.852

Exact Mass: 832.2942

NMR Solvent: acetone-d6

MHz: 300 (1H)

Calibration: TMS

NMR references: Howell, H., Malan, E., Brand, D., Kamara, B., Bezuidenhoudt, B., Marais, C., Steenkamp, J. (2007). Two New Promelacacinidin Dimers, Including a Novel Flavanone-flavanol Dimer Characterized by a Unique C(3)-C(4) Linkage, From the Heartwood of Acacia nigrescens. Chem. Nat. Compd. 43, 533-538.

Species: synthesis - Howell, H., Malan, E., Brand, D., Kamara, B., Bezuidenhoudt, B., Marais, C., Steenkamp, J. (2007). Two New Promelacacinidin Dimers, Including a Novel Flavanone-flavanol Dimer Characterized by a Unique C(3)-C(4) Linkage, From the Heartwood of Acacia nigrescens. Chem. Nat. Compd. 43, 533-538.

Notes: NMR spectra collected using Bruker AVANCE DPX 300 spectrometer. Numbering of atoms in this entry differs from that given in Howell.