Spektraris NMR
jiadifenoxolane B
Common Name: jiadifenoxolane B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H18O7/c1-6-7-3-14(18)12(2)5-20-11(17)15(12,19)8-4-13(6,14)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=VEEVVBLKBPKCLN-BWVFCMRPSA-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) | 45 |
| 2 (CH) | 83.3 |
| 3 (CH2) | 42.5 |
| 4 (C) | 77.8 |
| 5 (C) | 46.7 |
| 6 (C) | 78.7 |
| 7 (CH) | 82.7 |
| 8 (CH2) | 22.6 |
| 9 (C) | 54.2 |
| 10 (CH) | 75.3 |
| 11 (C) | 172.5 |
| 12 (C) | 178.8 |
| 13 (CH3) | 22.2 |
| 14 (CH2) | 74.3 |
| 15 (CH3) | 8.6 |
