Spektraris NMR
Chiliomarln
Common Name: Chiliomarln
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H26O4/c1-12-6-8-18(2)15(4-5-16-19(18,3)24-16)20(12)10-14(23-17(20)21)13-7-9-22-11-13/h7,9,11-12,14-16H,4-6,8,10H2,1-3H3/t12-,14+,15+,16+,18+,19+,20-/m1/s1
InChIKey: InChIKey=LQZFCXIQXXLGKL-GWUXEJKESA-N
Formula: C20H26O4
Molecular Weight: 330.418797
Exact Mass: 330.183109
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Jakupovic, J., Banerjee, S., Bohlmann, F., King, R.M., Robinson, H. Tetrahedron (1986) 42, 1305-13
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Clerodanes; 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 (CH2) | 25.6 |
| 2 (CH2) | 25.7 |
| 3 (CH) | 60.6 |
| 4 (C) | 62.7 |
| 5 (C) | 36.5 |
| 6 (CH2) | 25.3 |
| 7 (CH2) | 21.4 |
| 8 (CH) | 33.3 |
| 9 (C) | 52.7 |
| 10 (CH) | 51 |
| 11 (CH2) | 46.4 |
| 12 (CH) | 70.9 |
| 13 (C) | 125.3 |
| 14 (CH) | 108.2 |
| 15 (CH) | 143.9 |
| 16 (CH) | 139.4 |
| 17 (CH3) | 18.1 |
| 18 (CH3) | 29.7 |
| 19 (CH3) | 20.5 |
| 20 (C) | 176.7 |
