Spektraris NMR
Methyl acetylbotryaloate
Common Name: Methyl acetylbotryaloate
Synonyms: Methyl acetylbotryaloate
CAS Registry Number:
InChI: InChI=1S/C18H28O6/c1-10-7-13(24-11(2)20)14-16(3,4)9-17(5,15(21)23-6)18(14,22)12(10)8-19/h8,10,12-14,22H,7,9H2,1-6H3/t10-,12+,13+,14+,17-,18-/m1/s1
InChIKey: InChIKey=OJTNMBLUYNJSQI-QQVKTXHJSA-N
Formula: C18H28O6
Molecular Weight: 340.412017
Exact Mass: 340.188589
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) | 68.3 |
| 2 (CH) | 28.2 |
| 3 (CH2) | 38.6 |
| 4 (CH) | 72.9 |
| 5 (CH) | 61.7 |
| 6 (C) | 38.6 |
| 7 (CH2) | 55 |
| 8 (C) | 55 |
| 9 (C) | 88 |
| 10 (CH) | 203.5 |
| 11 (CH3) | 20.5 |
| 12 (CH3) | 35.7 |
| 13 (CH3) | 27.5 |
| 14 (CH3) | 20.9 |
| 15 (C) | 178.9 |
| 4a (C) | 21.4 |
| 4b (CH3) | 170.3 |
| 15a (CH3) | 52.6 |
