Spektraris NMR
Gibberosene A
Common Name: Gibberosene A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H32O4/c1-13(2)17-12-18-15(4)9-7-8-14(3)10-11-19-22(6,26-19)21(20(17)25-18)24-16(5)23/h8,12-13,15,19,21H,7,9-11H2,1-6H3/b14-8+/t15-,19+,21-,22+/m0/s1
InChIKey: InChIKey=MVULDMBCESYPJZ-CGFKBWNFSA-N
Formula: C22H32O4
Molecular Weight: 360.487914
Exact Mass: 360.23006
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Ahmed, A.F., Wen, Z.H., Su, J.H., Hsieh, Y.T., Wu, Y.C., Hu, W.P., Sheu, J.H. J Nat Prod (2008) 71, 179-85
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Cembranes; 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 (C) | 131 |
| 2 (CH) | 103.6 |
| 3 (C) | 159.8 |
| 4 (CH) | 34.7 |
| 5 (CH2) | 35.5 |
| 6 (CH2) | 26.6 |
| 7 (CH) | 126.6 |
| 8 (C) | 132.1 |
| 9 (CH2) | 36.7 |
| 10 (CH2) | 25.9 |
| 11 (CH) | 57.6 |
| 12 (C) | 60 |
| 13 (CH) | 67.8 |
| 14 (C) | 140.5 |
| 15 (CH) | 24.4 |
| 16 (CH3) | 23.9 |
| 17 (CH3) | 23.9 |
| 18 (CH3) | 21.3 |
| 19 (CH3) | 14.8 |
| 20 (CH3) | 15.6 |
| 13a (C) | 170.5 |
| 13b (CH3) | 20.8 |
