Spektraris NMR
15α-Methoxy-O-methyldihydrobotrydial
Common Name: 15α-Methoxy-O-methyldihydrobotrydial
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C19H32O6/c1-10-8-12(24-11(2)20)14-17(3,4)9-18(5)16(23-7)25-15(22-6)13(10)19(14,18)21/h10,12-16,21H,8-9H2,1-7H3/t10-,12+,13-,14+,15+,16+,18-,19-/m1/s1
InChIKey: InChIKey=UVJBMYJHRMQRSJ-IHFWDFRQSA-N
Formula: C19H32O6
Molecular Weight: 356.454516
Exact Mass: 356.219889
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 |
| 2 (CH) | 29.1 |
| 3 (CH2) | 39.8 |
| 4 (CH) | 72.7 |
| 5 (CH) | 59.9 |
| 6 (C) | 39.2 |
| 7 (CH2) | 50.4 |
| 8 (C) | 49.3 |
| 9 (C) | 86 |
| 10 (CH) | 101 |
| 11 (CH3) | 20.1 |
| 12 (CH3) | 35.6 |
| 13 (CH3) | 27.2 |
| 14 (CH3) | 19.2 |
| 15 (CH) | 102.8 |
| 4a (C) | 170.5 |
| 4b (CH3) | 21.4 |
| 10a (CH3) | 56.77 |
| 15a (CH3) | 55.34 |
