Spektraris NMR
Herbolide E
Common Name: Herbolide E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H22O4/c1-7-9-6-11(17)15(3)5-4-10(16)8(2)12(15)13(9)19-14(7)18/h7,9-11,13,16-17H,4-6H2,1-3H3/t7-,9-,10+,11-,13-,15+/m0/s1
InChIKey: InChIKey=QNHJQMWDCQMNKF-QCJRPKTOSA-N
Formula: C15H22O4
Molecular Weight: 266.333355
Exact Mass: 266.151809
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Segal, R., Eden, L., Danin, A., Kaiser, M., Duddeck, H. Phytochemistry (1984) 23, 2954-6
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) | 21.2 |
| 2 (CH2) | 29.8 |
| 3 (CH) | 72.9 |
| 4 (C) | 126.9 |
| 5 (C) | 134.3 |
| 6 (CH) | 81.6 |
| 7 (CH) | 48.1 |
| 8 (CH2) | 42.3 |
| 9 (CH) | 71.8 |
| 10 (C) | 38.2 |
| 11 (CH) | 37.9 |
| 12 (C) | 179.5 |
| 13 (CH3) | 9.9 |
| 14 (CH3) | 17.4 |
| 15 (CH3) | 18 |
