Spektraris NMR
Ferrugieudesmol
Common Name: Ferrugieudesmol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C35H54O2/c1-21(2)24-18-25-26(19-31-32(4,5)14-10-15-35(31,9)29(25)20-30(24)36)27-12-11-22(3)28-17-23(33(6,7)37)13-16-34(27,28)8/h18,20-21,23,26-28,31,36-37H,3,10-17,19H2,1-2,4-9H3/t23-,26+,27+,28+,31+,34+,35-/m1/s1
InChIKey: InChIKey=QJDFWYBXQNDEJQ-RPABJFINSA-N
Formula: C35H54O2
Molecular Weight: 506.803367
Exact Mass: 506.412381
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Hsieh, C.L., Tseng, M.H., Shao, Y.Y., Chang, J.Y., Kuo, C.C., Chang, C.Y., Kuo, Y.H. J Nat Prod (2006) 69, 1611-3
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Abietanes; 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) | 38.8 |
| 2 (CH2) | 19.3 |
| 3 (CH2) | 42.1 |
| 4 (C) | 34 |
| 5 (CH) | 46.2 |
| 6 (CH2) | 21.6 |
| 7 (CH) | 33 |
| 8 (C) | 131.4 |
| 9 (C) | 149.9 |
| 10 (C) | 37.7 |
| 11 (CH) | 109.9 |
| 12 (C) | 150.6 |
| 13 (C) | 131.2 |
| 14 (CH) | 126.6 |
| 15 (CH) | 27.2 |
| 16 (CH3) | 22.6 |
| 17 (CH3) | 22.8 |
| 18 (CH3) | 33.3 |
| 19 (CH3) | 21.3 |
| 20 (CH3) | 24.4 |
| 1' (CH) | 58.7 |
| 2' (CH2) | 24.8 |
| 3' (CH2) | 37.2 |
| 4' (C) | 150.9 |
| 5' (CH) | 51.6 |
| 6' (CH2) | 25 |
| 7' (CH) | 49 |
| 8' (CH2) | 22.6 |
| 9' (CH2) | 39.6 |
| 10' (C) | 39.8 |
| 11' (C) | 73 |
| 12' (CH3) | 27 |
| 13' (CH3) | 27.3 |
| 14' (CH3) | 13.9 |
| 15' (CH2) | 105.1 |
