Spektraris NMR
Smyrnicordiolide
Common Name: Smyrnicordiolide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H18O3/c1-9-8-17-5-4-15(3)7-13-11(6-12(9)15)10(2)14(16)18-13/h4-5,8,12-13H,6-7H2,1-3H3/t12-,13-,15+/m0/s1
InChIKey: InChIKey=DMFSWNMSKDPBCG-KCQAQPDRSA-N
Formula: C15H18O3
Molecular Weight: 246.302187
Exact Mass: 246.125594
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Ulubelen, A., Goren, N., Bohlmann, F., Jakupovic, J., Grenz, M., Tanker, N. Phytochemistry (1985) 24, 1305-8
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Elemanes; 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) | 110.8 |
| 2 (CH) | 141.5 |
| 3 (CH) | 139.4 |
| 4 (C) | 119.4 |
| 5 (CH) | 52.3 |
| 6 (CH2) | 28.3 |
| 7 (C) | 161.5 |
| 8 (CH) | 76.5 |
| 9 (CH2) | 47.8 |
| 10 (C) | 39.3 |
| 11 (C) | 119.8 |
| 12 (C) | 174.8 |
| 13 (CH3) | 8.2 |
| 14 (CH3) | 30.8 |
| 15 (CH3) | 21.3 |
