Spektraris NMR
8α-O-(4-Hydroxy-2-methylenebutanoyloxy)melitensin
Common Name: 8α-O-(4-Hydroxy-2-methylenebutanoyloxy)melitensin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H28O6/c1-6-20(5)9-14(25-18(23)11(2)7-8-21)15-13(4)19(24)26-17(15)16(20)12(3)10-22/h6,13-17,21-22H,1-3,7-10H2,4-5H3/t13-,14-,15+,16+,17-,20+/m0/s1
InChIKey: InChIKey=VKSVJJJVFPRTAL-XFNMEUKGSA-N
Formula: C20H28O6
Molecular Weight: 364.433489
Exact Mass: 364.188589
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Djeddi, S., Karioti, A., Sokovic, M., Koukoulitsa, C., Skaltsa, H. Bioorg Med Chem (2008) 16, 3725-31
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Elemanes; 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) | 145.6 |
| 2 (CH2) | 112.8 |
| 3 (CH2) | 114.6 |
| 4 (C) | 144 |
| 5 (CH) | 50.1 |
| 6 (CH) | 78.2 |
| 7 (CH) | 55.9 |
| 8 (CH) | 70.4 |
| 9 (CH2) | 44.8 |
| 10 (C) | 41.1 |
| 11 (CH) | 40.8 |
| 12 (C) | 178.1 |
| 13 (CH3) | 13.8 |
| 14 (CH3) | 18.5 |
| 15 (CH2) | 67.1 |
| 8a (C) | 166 |
| 8b (C) | 136.6 |
| 8c (CH2) | 35 |
| 8d (CH2) | 61.3 |
| 8ba (CH2) | 127.8 |
