Spektraris NMR
Mitissimol F
Common Name: Mitissimol F
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H22O5/c1-13(2)6-5-9(16)14(3,18)7-8-11(19-8)15(4)12(20-15)10(13)17/h5-6,8,10-12,17-18H,7H2,1-4H3/b6-5+/t8-,10-,11-,12-,14+,15-/m1/s1
InChIKey: InChIKey=NZNUJXKWMKHJHY-VCIXDZCWSA-N
Formula: C15H22O5
Molecular Weight: 282.33276
Exact Mass: 282.146724
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Luo, D.Q., Gao, Y., Yang, X.L., Tang, J.G., Zhao, L.Y., Liu, J.K. Helv Chim Acta (2007) 90, 1112-6
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Humulanes; 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) | 72.9 |
| 2 (CH) | 62.3 |
| 3 (C) | 61.8 |
| 4 (CH) | 60.3 |
| 5 (CH) | 52.4 |
| 6 (CH2) | 44.8 |
| 7 (C) | 79.4 |
| 8 (C) | 209.5 |
| 9 (CH) | 129.8 |
| 10 (CH) | 150.7 |
| 11 (C) | 43.2 |
| 12 (CH3) | 27.1 |
| 13 (CH3) | 18.3 |
| 14 (CH3) | 27.9 |
| 15 (CH3) | 11.9 |
