Isoneochamaejasmin A

Isoneochamaejasmin A

Common Name: Isoneochamaejasmin A

Synonyms: INCA

CAS Registry Number: 871319-96-9

InChI:

InChIKey:

Formula: C33H22O10

Molecular Weight: 542.496

Exact Mass: 542.121297

NMR Solvent: DMSO-d6

MHz: 500.0

Calibration: TMS

NMR references: Yu, L., Pu, J., Zuo, M., Zhang, X., Cao, Y., Chen, S., Lou, Y., Zhou, Q., Hu, H., Jiang, H., Chen, J., Zeng, S. (2014). Hepatic Glucuronidation of Isoneochamaejasmin A from the Traditional Chinese Medicine Stellera Chamaejasme L. Root. Drug Metab. Dispos. 42, 735-743.

Species: Stellera Chamaejasma - Yu, L., Pu, J., Zuo, M., Zhang, X., Cao, Y., Chen, S., Lou, Y., Zhou, Q., Hu, H., Jiang, H., Chen, J., Zeng, S. (2014). Hepatic Glucuronidation of Isoneochamaejasmin A from the Traditional Chinese Medicine Stellera Chamaejasme L. Root. Drug Metab. Dispos. 42, 735-743.

Notes:

Proton NMR Peaks

Position PPM Peak Type J (Hz)
2, 2" 4.76 m
3, 3" 3.71 m
6, 6" 5.76 d 1.5
8, 8" 5.89 d 1.5
2', 2''', 6', 6''' 6.99 d 8.5
3', 3''', 5', 5''' 6.79 d 8.5

Carbon NMR Peaks

Position PPM
2, 2" 81
3, 3" 47.6
4, 4" 195.3
5, 5" 163.9
6, 6" 96.7
7, 7" 167.4
8, 8" 95.5
9, 9" 162.9
10, 10" 101.5
1', 1''' 127.1
2', 2''', 6', 6''' 129.9
3', 3''', 5', 5''' 116
4', 4''' 158.8