Spektraris NMR

Common Name: Podoverine C

Synonyms: 4H-​1-​Benzopyran-​4-​one, 3-​[4-​(5,​7-​dihydroxy-​3-​methoxy-​4-​oxo-​4H- ​1-​benzopyran-​2-​yl)​-​2-​hydroxy-​3-​(3-​methyl-​2-​butenyl)​phenoxy] ​-​2,​3-​dihydro-​2,​3,​5,​7-​tetrahydroxy-​2-​(4-​hydroxyphenyl)​- (9CI)

CAS Registry Number: 107882-40-6

InChI:

InChIKey:

Formula: C36H30O14

Molecular Weight: 686.622

Exact Mass: 686.1636

NMR Solvent: acetone-d6, methanol-d4

MHz: 200.13 (1H), 50.33 (13C)

Calibration: TMS

NMR references: Arens, H., Ulbrich, B., Fischer, H., Parnham, M., Romer, A. (1986). Novel Antiinflammatory Flavonoids from Podophyllum versipelle Cell Culture. Planta Medica 52, 468-473.

Species: Podophyllum versipelle - Arens, H., Ulbrich, B., Fischer, H., Parnham, M., Romer, A. (1986). Novel Antiinflammatory Flavonoids from Podophyllum versipelle Cell Culture. Planta Medica 52, 468-473.

Notes: 2 sets of data each were collected for 1H and 13C, one using acetone-d6 as solvent and the other using methanol-d4 as solvent. For 1H data, peak types were not indicated for some signals, but coupling constants were indicated; it is assumed that the researchers encountered broad signals in these cases. Data for proximity of coupling, as noted by superscripts on J-values, was presented in this literature but is not noted here. For the some protons, the researchers indicated that these protons were coupled to the AB-system; we assume this to refer to the two ring systems adjacent to the ring system containing the these protons. For other protons, the researchers indicated that the protons were coupled to the AA'XX'-system, which we conclude to be coupling involving neighboring ring systems. See literature for more information.