Spektraris NMR
Botcinolide
Common Name: Botcinolide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H34O8/c1-6-7-8-14(21)9-10-15(22)28-16-11(2)17(23)20(5,26)18(24)12(3)19(25)27-13(16)4/h9-14,16-18,21,23-24,26H,6-8H2,1-5H3/b10-9+/t11-,12+,13+,14?,16+,17+,18-,20-/m1/s1
InChIKey: InChIKey=YFWCDPYMHQAWJE-SWDSWXKRSA-N
Formula: C20H34O8
Molecular Weight: 402.479943
Exact Mass: 402.225368
NMR Solvent: CD3OD
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 (C) | 180.1 |
| 2 (CH) | 39.7 |
| 3 (CH) | 77.6 |
| 4 (C) | 79.9 |
| 5 (CH) | 72.4 |
| 6 (CH) | 39.3 |
| 7 (CH) | 78.4 |
| 8 (CH) | 69.3 |
| 9 (C) | 167.7 |
| 10 (CH) | 120.1 |
| 11 (CH) | 153.6 |
| 12 (CH) | 71.5 |
| 13 (CH2) | 37.2 |
| 14 (CH2) | 28.6 |
| 15 (CH2) | 23.6 |
| 16 (CH3) | 14.3 |
| 17 (CH3) | 17.4 |
| 18 (CH3) | 14.9 |
| 19 (CH3) | 14.7 |
| 20 (CH3) | 18.1 |
