Spektraris NMR
Deacetyl-O-methyldihydro-botrydialone
Common Name: Deacetyl-O-methyldihydro-botrydialone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C16H26O5/c1-8-6-9(17)11-14(2,3)7-15(4)13(18)21-12(20-5)10(8)16(11,15)19/h8-12,17,19H,6-7H2,1-5H3/t8-,9+,10-,11+,12?,15-,16-/m1/s1
InChIKey: InChIKey=NVCJZVDZCXXSPZ-CBJKRAADSA-N
Formula: C16H26O5
Molecular Weight: 298.375259
Exact Mass: 298.178024
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) | 32.6 |
| 3 (CH2) | 43.1 |
| 4 (CH) | 69.5 |
| 5 (CH) | 64.5 |
| 6 (C) | 40 |
| 7 (CH2) | 49 |
| 8 (C) | 53.8 |
| 9 (C) | 84.4 |
| 10 (CH) | 108 |
| 11 (CH3) | 20.4 |
| 12 (CH3) | 36.3 |
| 13 (CH3) | 27.3 |
| 14 (CH3) | 20.4 |
| 15 (C) | 173.9 |
| 10a (CH3) | 57 |
