Spektraris NMR
Elaeochytrin A
Common Name: Elaeochytrin A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H31NO3/c1-14(2)22(25)12-11-21(4)10-9-15(3)13-18(19(21)22)26-20(24)16-7-5-6-8-17(16)23/h5-9,14,18-19,25H,10-13,23H2,1-4H3/t18-,19+,21-,22+/m0/s1
InChIKey: InChIKey=HKHOXKLGGSDMQO-YUVXSKOASA-N
Formula: C22H31N1O3
Molecular Weight: 357.487311
Exact Mass: 357.230394
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Alkhatib, R., Hennebelle, T., Joha, S., Idziorek, T., Preudhomme, C., Quesnel, B., Sahpaz, S., Bailleul, F. Phytochemistry (2008) 69, 2979-83
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) | 31.8 |
| 4 (C) | 86.4 |
| 5 (CH) | 60.1 |
| 6 (CH) | 70.5 |
| 7 (CH2) | 41.5 |
| 8 (C) | 133.7 |
| 9 (CH) | 125.4 |
| 10 (CH2) | 41.2 |
| 11 (CH) | 37.2 |
| 12 (CH3) | 17.6 |
| 13 (CH3) | 18.6 |
| 14 (CH3) | 26.7 |
| 15 (CH3) | 20.3 |
| 1' (C) | 168.4 |
| 2' (C) | 110.8 |
| 3' (C) | 151.4 |
| 4' (CH) | 116.3 |
| 5' (CH) | 133.6 |
| 6' (CH) | 116.9 |
| 7' (CH) | 131.1 |
