Spektraris NMR
Herbolide 1
Common Name: Herbolide 1
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H22O4/c1-8-5-4-6-14(3)11(16)7-10-9(2)13(17)19-12(10)15(8,14)18/h9-12,16,18H,1,4-7H2,2-3H3/t9-,10-,11-,12-,14+,15-/m0/s1
InChIKey: InChIKey=FDUIILVWAZDNBQ-SFJACZDSSA-N
Formula: C15H22O4
Molecular Weight: 266.333355
Exact Mass: 266.151809
NMR Solvent: CD3COCD3
MHz:
Calibration:
NMR references: 13C - Segal, R., Eden, L., Danin, A., Kaiser, M., Duddeck, H. Phytochemistry (1985) 24, 1381-2
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) | 20.2 |
| 2 (CH2) | 26.7 |
| 3 (CH2) | 37.8 |
| 4 (C) | 147.3 |
| 5 (C) | 76.8 |
| 6 (CH) | 80.7 |
| 7 (CH) | 48.1 |
| 8 (CH2) | 40.9 |
| 9 (CH) | 71 |
| 10 (C) | 44.9 |
| 11 (CH) | 38.7 |
| 12 (C) | 179.6 |
| 13 (CH3) | 9.2 |
| 14 (CH3) | 12.8 |
| 15 (CH2) | 110.6 |
