Spektraris NMR
Methyl botryenaloate
Common Name: Methyl botryenaloate
Synonyms: Methyl botryenaloate
CAS Registry Number:
InChI: InChI=1S/C16H24O4/c1-9-6-11(18)13-12(10(9)7-17)16(4,14(19)20-5)8-15(13,2)3/h7,9,11,13,18H,6,8H2,1-5H3/t9-,11+,13-,16+/m1/s1
InChIKey: InChIKey=CIWANMKRQBXGMX-NGMYAQNXSA-N
Formula: C16H24O4
Molecular Weight: 280.359972
Exact Mass: 280.167459
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Reino, J.L., Duran-Patron, R., Segura, I., Hernandez-Galan, R., Riese, H.H., Collado, I.G. J Nat Prod (2003) 66, 344-9
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) | 137 |
| 2 (CH) | 30 |
| 3 (CH2) | 41.7 |
| 4 (CH) | 68.5 |
| 5 (CH) | 61.6 |
| 6 (C) | 39.9 |
| 7 (CH2) | 56 |
| 8 (C) | 51.1 |
| 9 (C) | 164.1 |
| 10 (CH) | 191.9 |
| 11 (CH3) | 20.4 |
| 12 (CH3) | 30.3 |
| 13 (CH3) | 23.6 |
| 14 (CH3) | 29.5 |
| 15 (C) | 176.7 |
| 15a (CH3) | 52.7 |
