Spektraris NMR
Repraesentin E
Common Name: Repraesentin E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H20O5/c1-7-3-10-9(6-20-13(10)17)4-8-5-15(2,14(18)19)12(16)11(7)8/h7-8,11-12,16H,3-6H2,1-2H3,(H,18,19)/t7-,8+,11+,12+,15+/m1/s1
InChIKey: InChIKey=VGLFPPRJHYACEV-NAYXSZQVSA-N
Formula: C15H20O5
Molecular Weight: 280.316878
Exact Mass: 280.131074
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Kashiwabara, M., Kamo, T., Makabe, H., Shibata, H., Hirota, M. Biosci Biotechnol Biochem (2006) 70, 1502-5
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Lactaranes; 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 (CH) | 78.9 |
| 2 (CH) | 54.4 |
| 3 (CH) | 29.1 |
| 4 (CH2) | 32.9 |
| 5 (C) | 175.1 |
| 6 (C) | 127 |
| 7 (C) | 161.9 |
| 8 (CH2) | 32.4 |
| 9 (CH) | 39.3 |
| 10 (CH2) | 41.9 |
| 11 (C) | 55.3 |
| 12 (C) | 180.5 |
| 13 (CH3) | 20.7 |
| 14 (CH2) | 71.9 |
| 15 (CH3) | 22.1 |
