Spektraris NMR
20-Formylhyrtiosal
Common Name: 20-Formylhyrtiosal
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H36O4/c1-22(15-26)8-5-9-24(3)19(22)6-10-25(4)20(23(2,16-27)13-21(24)25)12-18(28)17-7-11-29-14-17/h7,11,14-16,18-21,28H,5-6,8-10,12-13H2,1-4H3/t18-,19-,20+,21+,22-,23+,24-,25-/m1/s1
InChIKey: InChIKey=GQTGVPWUZYKHAV-XQLIIZMISA-N
Formula: C25H36O4
Molecular Weight: 400.551884
Exact Mass: 400.26136
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Qiu, Y., Deng, Z., Pei, Y., Fu, H., Li, J., Proksch, P., Lin, W. J Nat Prod (2004) 67, 921-4
Species:
Notes: Family : Terpenoids, Type : Sesterterpenoids, Group : Tricarbocyclics; 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) | 39.2 |
| 2 (CH2) | 16.54 |
| 3 (CH2) | 32.49 |
| 4 (C) | 49.3 |
| 5 (CH) | 49.58 |
| 6 (CH2) | 21.49 |
| 7 (CH2) | 39.62 |
| 8 (C) | 44.79 |
| 9 (CH) | 60.05 |
| 10 (C) | 35.72 |
| 11 (CH2) | 33.64 |
| 12 (CH) | 206.28 |
| 13 (C) | 52.69 |
| 14 (CH) | 48.13 |
| 15 (CH2) | 33.49 |
| 16 (CH) | 64.25 |
| 17 (C) | 129.19 |
| 18 (CH) | 108.44 |
| 19 (CH) | 143.29 |
| 20 (CH) | 205.37 |
| 21 (CH3) | 13.51 |
| 22 (CH3) | 15.74 |
| 23 (CH3) | 16.54 |
| 24 (CH3) | 19.2 |
| 25 (CH) | 138.8 |
