Spektraris NMR
Arbusculin E
Common Name: Arbusculin E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C16H26O4/c1-10(14(18)20-4)11-6-9-15(2)7-5-8-16(3,19)13(15)12(11)17/h11-13,17,19H,1,5-9H2,2-4H3/t11?,12-,13+,15+,16+/m0/s1
InChIKey: InChIKey=XIIWTWSXTZNZQF-BTVFNWTGSA-N
Formula: C16H26O4
Molecular Weight: 282.375854
Exact Mass: 282.183109
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Vasquez, M., Macias, F.A., Urbatsch, L.E., Fischer, N.H. Phytochemistry (1988) 27, 2195-8
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Eudesmanes; 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) | 42.9 |
| 2 (CH2) | 19.5 |
| 3 (CH2) | 43.6 |
| 4 (C) | 73.5 |
| 5 (CH) | 57.9 |
| 6 (CH) | 73.3 |
| 7 (CH) | 50.2 |
| 8 (CH2) | 26.8 |
| 9 (CH2) | 42.6 |
| 10 (C) | 36.3 |
| 11 (C) | 142.3 |
| 12 (CH2) | 125.7 |
| 13 (C) | 168.3 |
| 14 (CH3) | 19.7 |
| 15 (CH3) | 23.8 |
| 13a (CH3) | 52 |
