Spektraris NMR
Grandilobalide B
Common Name: Grandilobalide B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H18O5/c1-8-3-4-12(2)10-11(17)18-7-13(8,12)6-15-14(10,20-15)5-9(16)19-15/h8,10H,3-7H2,1-2H3/t8-,10+,12+,13-,14-,15+/m1/s1
InChIKey: InChIKey=IJUFDYIEFLVMBI-BIOYFRDJSA-N
Formula: C15H18O5
Molecular Weight: 278.300997
Exact Mass: 278.115424
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) | 42.1 |
| 2 (CH2) | 30.9 |
| 3 (CH2) | 32.2 |
| 4 (CH) | 50.2 |
| 5 (C) | 58 |
| 6 (C) | 85.7 |
| 7 (CH2) | 37.4 |
| 8 (C) | 44.6 |
| 9 (C) | 41.9 |
| 10 (CH2) | 38.6 |
| 11 (C) | 172.1 |
| 12 (CH2) | 76 |
| 13 (CH3) | 19.8 |
| 14 (CH3) | 23.7 |
| 15 (C) | 165.5 |
