Spektraris NMR
Eremofarfugin A
Common Name: Eremofarfugin A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H28O5/c1-6-10(2)18(22)24-14-8-7-13-9-15-16(11(3)19(23)25-15)17(21)20(13,5)12(14)4/h6,11-14,17,21H,7-9H2,1-5H3/b10-6-/t11-,12+,13-,14+,17-,20-/m1/s1
InChIKey: InChIKey=UWCGEWFAZBWFAD-QHXMAMPQSA-N
Formula: C20H28O5
Molecular Weight: 348.434084
Exact Mass: 348.193674
NMR Solvent: C6D6
MHz:
Calibration:
NMR references: 13C - Tori, M., Shiotani, Y., Tanaka, M., Nakashima, K., Sono, M. Tetrahedron Lett (2000) 41, 1797-9
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Eremophilanes; 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) | 27.2 |
| 2 (CH2) | 26.1 |
| 3 (CH) | 71.9 |
| 4 (CH) | 36.1 |
| 5 (C) | 42.1 |
| 6 (CH) | 65.5 |
| 7 (C) | 116.2 |
| 8 (C) | 147.7 |
| 9 (CH2) | 25.8 |
| 10 (CH) | 35.2 |
| 11 (CH) | 39.2 |
| 12 (C) | 178.9 |
| 13 (CH3) | 14.3 |
| 14 (CH3) | 19 |
| 15 (CH3) | 8.1 |
| 3a (C) | 167.1 |
| 3b (C) | 128 |
| 3c (CH) | 138 |
| 3d (CH3) | 15.8 |
| 3ba (CH3) | 20.7 |
