Spektraris NMR
Gibberosene B
Common Name: Gibberosene B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H34O3/c1-15(2)19-12-10-16(3)8-7-9-17(4)11-13-20-22(6,25-20)21(14-19)24-18(5)23/h9-10,12,15,20-21H,7-8,11,13-14H2,1-6H3/b16-10+,17-9+,19-12+/t20-,21+,22+/m0/s1
InChIKey: InChIKey=DGDSKYGEKMVUCF-CYGRXVNTSA-N
Formula: C22H34O3
Molecular Weight: 346.50439
Exact Mass: 346.250795
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) | 142.3 |
| 2 (CH) | 120.4 |
| 3 (CH) | 121.8 |
| 4 (C) | 136.6 |
| 5 (CH2) | 39.5 |
| 6 (CH2) | 25.9 |
| 7 (CH) | 126.6 |
| 8 (C) | 133.9 |
| 9 (CH2) | 36.7 |
| 10 (CH2) | 24.4 |
| 11 (CH) | 57.7 |
| 12 (C) | 60.9 |
| 13 (CH) | 74.2 |
| 14 (CH2) | 30.4 |
| 15 (CH) | 32.5 |
| 16 (CH3) | 23.1 |
| 17 (CH3) | 22.2 |
| 18 (CH3) | 16.7 |
| 19 (CH3) | 14.9 |
| 20 (CH3) | 16 |
| 13a (C) | 170.7 |
| 13b (CH3) | 21.2 |
