Spektraris NMR
Ballonigrin
Common Name: Ballonigrin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H24O4/c1-12-14(6-5-13-7-10-23-11-13)19(2)8-4-9-20(3)17(19)16(15(12)21)24-18(20)22/h7,10-11,16-17H,4-6,8-9H2,1-3H3/t16-,17-,19-,20+/m1/s1
InChIKey: InChIKey=FREUGTILYKJVRL-LFGUQSLTSA-N
Formula: C20H24O4
Molecular Weight: 328.402916
Exact Mass: 328.167459
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Hussein, A.A., Jimeno, M.L., Rodriguez, B. Magn Reson Chem (2007) 45, 899-901
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Labdanes; 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 (CH2) | 30.29 |
| 2 (CH2) | 17.85 |
| 3 (CH2) | 27.74 |
| 4 (C) | 42.01 |
| 5 (CH) | 49.55 |
| 6 (CH) | 75.48 |
| 7 (C) | 193.18 |
| 8 (C) | 131.18 |
| 9 (C) | 166.71 |
| 10 (C) | 36.66 |
| 11 (CH2) | 30 |
| 12 (CH2) | 24.06 |
| 13 (C) | 123.69 |
| 14 (CH) | 110.53 |
| 15 (CH) | 143.13 |
| 16 (CH) | 138.76 |
| 17 (CH3) | 11.95 |
| 18 (CH3) | 24.52 |
| 19 (C) | 180.13 |
| 20 (CH3) | 27.98 |
