Spektraris NMR
Grandilobalide A
Common Name: Grandilobalide A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H18O3/c1-9-3-5-14(2)12-10-4-6-17-11(10)7-15(9,14)8-18-13(12)16/h4,6,9,12H,3,5,7-8H2,1-2H3/t9-,12+,14+,15-/m1/s1
InChIKey: InChIKey=BLBXGSKOYPSCNN-WNPSNZDDSA-N
Formula: C15H18O3
Molecular Weight: 246.302187
Exact Mass: 246.125594
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Tazaki, H., Ishikawa, F., Soutome, H., Nabeta, K. Phytochemistry (1998) 48, 851-6
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Pinguisanes; 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) | 41.2 |
| 2 (CH2) | 31.5 |
| 3 (CH2) | 31.6 |
| 4 (CH) | 49.4 |
| 5 (C) | 113.7 |
| 6 (C) | 149.6 |
| 7 (CH2) | 39 |
| 8 (C) | 43.8 |
| 9 (C) | 45.5 |
| 10 (CH) | 109.2 |
| 11 (CH) | 141.6 |
| 12 (CH2) | 78.1 |
| 13 (CH3) | 19.6 |
| 14 (CH3) | 23.8 |
| 15 (C) | 171 |
