Spektraris NMR
Medicarpin
Common Name: Medicarpin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C16H14O4/c1-18-10-3-5-11-13-8-19-14-6-9(17)2-4-12(14)16(13)20-15(11)7-10/h2-7,13,16-17H,8H2,1H3/t13-,16-/m1/s1
InChIKey: InChIKey=NSRJSISNDPOJOP-CZUORRHYSA-N
Formula: C16H14O4
Molecular Weight: 270.280565
Exact Mass: 270.089209
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Seo, E.K., Kim, N.C., Mi, Q., Chai, H., Wall, M.E., Wani, M.C., Navarro, H.A., Burgess, J.P., Graham, J.G., Cabieses, F., Tan, G.T., Farnsworth, N.R., Pezzuto, J.M., Kinghorn, A.D. J Nat Prod (2001) 64, 1483-5
Species:
Notes: Family : Flavonoids, Type : Pterocarpanoids; 13 C Spectrum from Naproc 13: José Luis López-Pérez, Roberto Therón, Esther del Olmo, David Díaz: NAPROC-13: a database for the dereplication of natural product mixtures in bioassay-guided protocols. Bioinformatics 23(23):3256-3257 (2007)
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 1 (CH) | 132.9 |
| 2 (CH) | 112 |
| 3 (C) | 160.6 |
| 4 (CH) | 104.3 |
| 4a (C) | 157.5 |
| 6 (CH2) | 66.8 |
| 6a (CH) | 40.1 |
| 6b (C) | 120.1 |
| 7 (CH) | 125.4 |
| 8 (CH) | 106.6 |
| 9 (C) | 161.7 |
| 10 (CH) | 97.2 |
| 10a (C) | 161.5 |
| 11a (CH) | 79.3 |
| 11b (C) | 112 |
| 9a (CH3) | 55.4 |
