Spektraris NMR
O-Methyldihydrobotrydial
Common Name: O-Methyldihydrobotrydial
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C18H30O5/c1-10-7-12(23-11(2)19)14-16(3,4)8-17(5)9-22-15(21-6)13(10)18(14,17)20/h10,12-15,20H,7-9H2,1-6H3/t10-,12+,13-,14+,15+,17-,18-/m1/s1
InChIKey: InChIKey=VAKKDCDTJWXIKK-ZBLLOSQXSA-N
Formula: C18H30O5
Molecular Weight: 326.428493
Exact Mass: 326.209324
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) | 54.7 |
| 2 (CH) | 28.6 |
| 3 (CH2) | 40 |
| 4 (CH) | 72.8 |
| 5 (CH) | 59.4 |
| 6 (C) | 38.8 |
| 7 (CH2) | 50.4 |
| 8 (C) | 45.4 |
| 9 (C) | 82.5 |
| 10 (CH) | 98.7 |
| 11 (CH3) | 20.1 |
| 12 (CH3) | 35.6 |
| 13 (CH3) | 27.3 |
| 14 (CH3) | 25.3 |
| 15 (CH2) | 67.5 |
| 4a (C) | 170.5 |
| 4b (CH3) | 21.5 |
| 10a (CH3) | 54.9 |
