Spektraris NMR
Jaeschkeanadiol p-hydroxybenzoate (Ferutinin)
Common Name: Jaeschkeanadiol p-hydroxybenzoate (Ferutinin)
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H30O4/c1-14(2)22(25)12-11-21(4)10-9-15(3)13-18(19(21)22)26-20(24)16-5-7-17(23)8-6-16/h5-9,14,18-19,23,25H,10-13H2,1-4H3/t18-,19+,21-,22+/m0/s1
InChIKey: InChIKey=CYSHNJQMYORNJI-YUVXSKOASA-N
Formula: C22H30O4
Molecular Weight: 358.472032
Exact Mass: 358.214409
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) | 41.3 |
| 3 (CH2) | 31.6 |
| 4 (C) | 86.5 |
| 5 (CH) | 60.1 |
| 6 (CH) | 71.2 |
| 7 (CH2) | 41.4 |
| 8 (C) | 133.6 |
| 9 (CH) | 125.3 |
| 10 (CH2) | 41 |
| 11 (CH) | 37.1 |
| 12 (CH3) | 17.6 |
| 13 (CH3) | 18.6 |
| 14 (CH3) | 26.4 |
| 15 (CH3) | 20.3 |
| 1' (C) | 121.6 |
| 2' (CH) | 132.1 |
| 3' (CH) | 115.6 |
| 4' (C) | 161.6 |
| 5' (CH) | 115.6 |
| 6' (CH) | 132.1 |
| 7' (C) | 167.6 |
