Spektraris NMR
jiadifenoxolane A
Common Name: jiadifenoxolane A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H18O7/c1-6-3-7-15(19)12(2)5-20-11(17)14(12,18)8-4-13(6,15)9(21-7)10(16)22-8/h6-9,18-19H,3-5H2,1-2H3/t6-,7+,8-,9?,12-,13+,14-,15+/m1/s1
InChIKey: InChIKey=KXYYBBVKQOHNOP-OOFMSPOGSA-N
Formula: C15H18O7
Molecular Weight: 310.299807
Exact Mass: 310.105253
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Kubo, M., Okada, C., Huang, J.M., Harada, K., Hioki, H., Fukuyama, Y. Org Lett (2009) 11, 5190-3
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) | 34.5 |
| 2 (CH2) | 39.9 |
| 3 (CH) | 82 |
| 4 (C) | 81.4 |
| 5 (C) | 46.1 |
| 6 (C) | 77.5 |
| 7 (CH) | 81.1 |
| 8 (CH2) | 20.1 |
| 9 (C) | 51.5 |
| 10 (CH) | 73.5 |
| 11 (C) | 171.2 |
| 12 (C) | 178.9 |
| 13 (CH3) | 22.6 |
| 14 (CH2) | 74.9 |
| 15 (CH3) | 13.4 |
