Spektraris NMR
1-Epibotrydial
Common Name: 1-Epibotrydial
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C17H26O5/c1-10-6-13(22-11(2)20)14-15(3,4)8-16(5,9-19)17(14,21)12(10)7-18/h7,9-10,12-14,21H,6,8H2,1-5H3/t10-,12-,13+,14+,16-,17-/m1/s1
InChIKey: InChIKey=SJFIYVCSGNWVPJ-SDLFRHKASA-N
Formula: C17H26O5
Molecular Weight: 310.385994
Exact Mass: 310.178024
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Collado, I.G., Aleu, J., Hernandez-Galan, R., Duran-Patron, R., Curr Org Chem (2000) 4, 1261-86
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Botryanes; 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) | 55.6 |
| 2 (CH) | 29.5 |
| 3 (CH2) | 34.1 |
| 4 (CH) | 71.3 |
| 5 (CH) | 60.9 |
| 6 (C) | 38.8 |
| 7 (CH2) | 48.9 |
| 8 (C) | 59.6 |
| 9 (C) | 86.9 |
| 10 (CH) | 205.5 |
| 11 (CH3) | 19.5 |
| 12 (CH3) | 34.5 |
| 13 (CH3) | 28 |
| 14 (CH3) | 18.8 |
| 15 (CH) | 205.8 |
| 4a (C) | 170.2 |
| 4b (CH3) | 21.5 |
