Spektraris NMR
Ballonigrinone
Common Name: Ballonigrinone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H22O5/c1-11-13(5-4-12-7-9-24-10-12)19(2)8-6-14(21)20(3)17(19)16(15(11)22)25-18(20)23/h7,9-10,16-17H,4-6,8H2,1-3H3/t16-,17-,19-,20+/m1/s1
InChIKey: InChIKey=BAQUTBLEBXGWDT-LFGUQSLTSA-N
Formula: C20H22O5
Molecular Weight: 342.386439
Exact Mass: 342.146724
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) | 30.13 |
| 2 (CH2) | 34 |
| 3 (C) | 203.38 |
| 4 (C) | 52.13 |
| 5 (CH) | 50.19 |
| 6 (CH) | 74.5 |
| 7 (C) | 191.3 |
| 8 (C) | 132.59 |
| 9 (C) | 163.66 |
| 10 (C) | 36.06 |
| 11 (CH2) | 30.31 |
| 12 (CH2) | 24.14 |
| 13 (C) | 123.42 |
| 14 (CH) | 110.46 |
| 15 (CH) | 143.3 |
| 16 (CH) | 138.82 |
| 17 (CH3) | 12.14 |
| 18 (CH3) | 21.6 |
| 19 (C) | 172.07 |
| 20 (CH3) | 24.21 |
