Spektraris NMR
Methyl Botryaloate
Common Name: Methyl Botryaloate
Synonyms: Methyl Botryaloate
CAS Registry Number:
InChI: InChI=1S/C16H26O5/c1-9-6-11(18)12-14(2,3)8-15(4,13(19)21-5)16(12,20)10(9)7-17/h7,9-12,18,20H,6,8H2,1-5H3/t9-,10+,11+,12+,15-,16-/m1/s1
InChIKey: InChIKey=RSSBVGMNANJWQY-UGWIWPNDSA-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) | 68.5 |
| 2 (CH) | 28.5 |
| 3 (CH2) | 43.5 |
| 4 (CH) | 70 |
| 5 (CH) | 66.3 |
| 6 (C) | 38.6 |
| 7 (CH2) | 54.9 |
| 8 (C) | 55.1 |
| 9 (C) | 88.2 |
| 10 (CH) | 204.1 |
| 11 (CH3) | 20.7 |
| 12 (CH3) | 36.2 |
| 13 (CH3) | 27.8 |
| 14 (CH3) | 20.7 |
| 15 (C) | 179 |
| 15a (CH3) | 52.5 |
