Spektraris NMR

Common Name: Pancibiflavonol

Synonyms: [3,​8'-​Bi-​4H-​1-​benzopyran]​-​4,​4'-​dione, 2'-​(3,​4-​dihydroxyphenyl)​-​2,​3-​dihydro-​3',​5,​5',​7,​7'-​ pentahydroxy-​2-​(4-​hydroxyphenyl)​-​, (2S,​3R)​-

CAS Registry Number: 252679-68-8

InChI:

InChIKey:

Formula: C30H20O12

Molecular Weight: 572.478

Exact Mass: 572.0955

NMR Solvent: Me2CO-d6

MHz: 600 (1H), 150 (13C)

Calibration: TMS

NMR references: Ito, C., Itoigawa, M., Miyamoto, Y., Rao, S., Takayasu, J., Okuda, Y., Mukainaka, T., Tokuda, H., Nishino, H., Furukawa, H. (1999). A New Biflavonoid from Calophyllum panciflorum with Antitumor-Promoting Activity. J. Nat. Prod. 62, 1668-1671.

Species: Calophyllum panciflorum - Ito, C., Itoigawa, M., Miyamoto, Y., Rao, S., Takayasu, J., Okuda, Y., Mukainaka, T., Tokuda, H., Nishino, H., Furukawa, H. (1999). A New Biflavonoid from Calophyllum panciflorum with Antitumor-Promoting Activity. J. Nat. Prod. 62, 1668-1671.

Notes: 1H NMR and 13C NMR were also run at 149°C and 120°C, respectively, in addition to 23°C , to determine the presence of atropisomers. Only 23°C NMR data is presented here.