Spektraris NMR
Elaeochytrin B
Common Name: Elaeochytrin B
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/h5-10,14-15,18-19,23,25H,11-13H2,1-4H3/t15-,18+,19-,21+,22-/m1/s1
InChIKey: InChIKey=AFNSACJBBUAMGY-GYIABGQCSA-N
Formula: C22H30O4
Molecular Weight: 358.472032
Exact Mass: 358.214409
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) | 45.8 |
| 2 (CH2) | 41.5 |
| 3 (CH2) | 30.9 |
| 4 (C) | 85.5 |
| 5 (CH) | 52.3 |
| 6 (CH) | 70.5 |
| 7 (CH2) | 46.1 |
| 8 (CH) | 21.2 |
| 9 (CH) | 138.2 |
| 10 (CH) | 134.5 |
| 11 (CH) | 36.5 |
| 12 (CH3) | 17.4 |
| 13 (CH3) | 18.4 |
| 14 (CH3) | 21.3 |
| 15 (CH3) | 28.9 |
| 1' (C) | 167 |
| 2' (C) | 122.4 |
| 3' (CH) | 132 |
| 4' (CH) | 115.5 |
| 5' (C) | 160.8 |
| 6' (CH) | 115.5 |
| 7' (CH) | 132 |
