Spektraris NMR
Broussonetone C
Common Name: Broussonetone C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C23H36O4/c1-19(2)9-6-10-21(5)15-8-7-14-11-22(15,18(25)16(24)17(19)21)12-23(14)13-26-20(3,4)27-23/h14-15,17-18,25H,6-13H2,1-5H3/t14-,15+,17-,18-,21+,22-,23+/m1/s1
InChIKey: InChIKey=GPDYNSLXYAITQJ-SCFFORSRSA-N
Formula: C23H36O4
Molecular Weight: 376.530412
Exact Mass: 376.26136
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Ko, H.H., Chang, W.L., Lu, T.M. J Nat Prod (2008) 71, 1930-3
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Kauranes; 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) | 40.6 |
| 2 (CH2) | 18.4 |
| 3 (CH2) | 42.2 |
| 4 (C) | 32.3 |
| 5 (CH) | 64.1 |
| 6 (C) | 211.6 |
| 7 (CH) | 78.9 |
| 8 (C) | 55.6 |
| 9 (CH) | 54.4 |
| 10 (C) | 46.2 |
| 11 (CH2) | 18.3 |
| 12 (CH2) | 27.1 |
| 13 (CH) | 45 |
| 14 (CH2) | 29.3 |
| 15 (CH2) | 52.4 |
| 16 (C) | 88.2 |
| 17 (CH2) | 69.7 |
| 18 (CH3) | 32.5 |
| 19 (CH3) | 22 |
| 20 (CH3) | 18.8 |
| 16a (C) | 108.8 |
| 16b (CH3) | 26.7 |
| 16c (CH3) | 26.9 |
