Spektraris NMR
Kuhistanicaol C
Common Name: Kuhistanicaol C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C23H32O5/c1-15(2)23(26)12-11-22(3)10-9-16(14-24)13-19(20(22)23)28-21(25)17-5-7-18(27-4)8-6-17/h5-9,15,19-20,24,26H,10-14H2,1-4H3/t19-,20+,22-,23+/m0/s1
InChIKey: InChIKey=GAASAKWUDZGHBV-PABCKOPISA-N
Formula: C23H32O5
Molecular Weight: 388.498054
Exact Mass: 388.224974
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Chen, B., Teranishi, R., Kawazoe, K., Takaishi, Y., Honda, G., Itoh, M., Takeda, Y., Kodzhimatov, O.K. Phytochemistry (2000) 54, 717-22
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Daucanes; 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) | 44 |
| 2 (CH2) | 41.4 |
| 3 (CH2) | 31.6 |
| 4 (C) | 86.4 |
| 5 (CH) | 60.2 |
| 6 (CH) | 71.4 |
| 7 (CH2) | 37.5 |
| 8 (C) | 136.8 |
| 9 (CH) | 127 |
| 10 (CH2) | 40.7 |
| 11 (CH) | 37.3 |
| 12 (CH3) | 17.5 |
| 13 (CH3) | 18.6 |
| 14 (CH2) | 68.6 |
| 15 (CH3) | 20.1 |
| 1' (C) | 122.7 |
| 2' (CH) | 131.8 |
| 3' (CH) | 113.9 |
| 4' (C) | 163.6 |
| 5' (CH) | 113.9 |
| 6' (CH) | 131.8 |
| 7' (C) | 166.5 |
| 4'a (CH3) | 55.5 |
