Spektraris NMR
4-O-Methylbotcinolide
Common Name: 4-O-Methylbotcinolide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H36O8/c1-7-8-9-15(22)10-11-16(23)29-17-12(2)18(24)21(5,27-6)19(25)13(3)20(26)28-14(17)4/h10-15,17-19,22,24-25H,7-9H2,1-6H3/b11-10+/t12-,13+,14+,15?,17+,18+,19-,21-/m1/s1
InChIKey: InChIKey=GJLPOSLGYAWPGK-ZQJZABFYSA-N
Formula: C21H36O8
Molecular Weight: 416.50656
Exact Mass: 416.241018
NMR Solvent: C6D6
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 (C) | 176.5 |
| 2 (CH) | 38.5 |
| 3 (CH) | 77.5 |
| 4 (C) | 79.1 |
| 5 (CH) | 71.8 |
| 6 (CH) | 38.4 |
| 7 (CH) | 77.8 |
| 8 (CH) | 68.5 |
| 9 (C) | 165.8 |
| 10 (CH) | 119.7 |
| 11 (CH) | 151.7 |
| 12 (CH) | 70.9 |
| 13 (CH2) | 36.5 |
| 14 (CH2) | 27.6 |
| 15 (CH2) | 22.8 |
| 16 (CH3) | 14.1 |
| 17 (CH3) | 17.2 |
| 18 (CH3) | 14.5 |
| 19 (CH3) | 14.2 |
| 20 (CH3) | 18.4 |
| 4a (CH3) | 50.9 |
