Spektraris NMR
Jiadifenin
Common Name: Jiadifenin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C16H18O8/c1-7-8(17)4-9-13(2)6-23-11(18)15(13,20)10-5-14(7,9)16(21,24-10)12(19)22-3/h4,7,10,20-21H,5-6H2,1-3H3/t7-,10+,13-,14+,15+,16+/m0/s1
InChIKey: InChIKey=RVLZTXZDKYFFMN-DYQQQXBFSA-N
Formula: C16H18O8
Molecular Weight: 338.309947
Exact Mass: 338.100168
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Yokoyama, R., Huang, J.M., Yang, C.S., Fukuyama, Y. J Nat Prod (2002) 65, 527-31
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Prezizaanes; 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) | 42.9 |
| 2 (C) | 208.9 |
| 3 (CH) | 130.6 |
| 4 (C) | 180.2 |
| 5 (C) | 45.2 |
| 6 (C) | 80.5 |
| 7 (CH) | 80.9 |
| 8 (CH2) | 31.4 |
| 9 (C) | 60.2 |
| 10 (C) | 105.9 |
| 11 (C) | 171.5 |
| 12 (C) | 178.9 |
| 13 (CH3) | 23.2 |
| 14 (CH2) | 76 |
| 15 (CH3) | 13.6 |
| 11a (CH3) | 52.7 |
