Spektraris NMR
Paralianone
Common Name: Paralianone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C35H44O13/c1-16-25(48-30(42)21-12-10-9-11-13-21)24-29(46-19(4)38)34(15-44-17(2)36)14-22-23(27(41)32(6,7)26(22)40)33(34,8)31(47-20(5)39)35(24,43)28(16)45-18(3)37/h9-13,16,22-25,27-29,31,41,43H,14-15H2,1-8H3/t16-,22-,23+,24-,25+,27-,28-,29-,31-,33-,34-,35+/m1/s1
InChIKey: InChIKey=ONXRKBGTTJNIHV-LFIHZJHPSA-N
Formula: C35H44O13
Molecular Weight: 672.717414
Exact Mass: 672.278191
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Barile, E., Fattorusso, E., Ialenti, A., Ianaro, A., Lanzotti, V. Bioorg Med Chem Lett (2007) 17, 4196-200
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Paralianes; 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) | 74.44 |
| 2 (CH) | 38.01 |
| 3 (CH) | 72.68 |
| 4 (CH) | 43.02 |
| 5 (CH) | 67.42 |
| 6 (C) | 56.06 |
| 7 (CH2) | 29.25 |
| 8 (CH) | 45.84 |
| 9 (C) | 210.54 |
| 10 (C) | 45.97 |
| 11 (CH) | 77.21 |
| 12 (CH) | 51.85 |
| 13 (C) | 53.69 |
| 14 (CH) | 73.22 |
| 15 (C) | 82.09 |
| 16 (CH3) | 10.22 |
| 17 (CH2) | 63.19 |
| 18 (CH3) | 20.5 |
| 19 (CH3) | 20 |
| 20 (CH3) | 17.58 |
| 1a (C) | 170.46 |
| 1b (CH3) | 20.79 |
| 3a (C) | 166.12 |
| 3b (C) | 129.47 |
| 3c (CH) | 129.73 |
| 3d (CH) | 128.47 |
| 3e (CH) | 133.22 |
| 3f (CH) | 128.47 |
| 3g (CH) | 129.73 |
| 5a (C) | 170.46 |
| 5b (CH3) | 20.75 |
| 14a (C) | 169.05 |
| 14b (CH3) | 20.69 |
| 17a (C) | 169.72 |
| 17b (CH3) | 21.21 |
