Spektraris NMR
Seco-chiliotrin
Common Name: Seco-chiliotrin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H30O3/c1-14(2)17-6-5-15(3)20(4,18(17)7-8-19(21)22)11-9-16-10-12-23-13-16/h10,12-13,15,18H,5-9,11H2,1-4H3,(H,21,22)/t15-,18+,20+/m1/s1
InChIKey: InChIKey=OMCFKAYBHWTBQV-BPAFIMBUSA-N
Formula: C20H30O3
Molecular Weight: 318.451155
Exact Mass: 318.219495
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 : Chettaphananes; 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) | 25.2 |
| 2 (CH2) | 33.3 |
| 3 (C) | 180 |
| 4 (C) | 125.8 |
| 5 (C) | 131.2 |
| 6 (CH2) | 20.8 |
| 7 (CH2) | 29.5 |
| 8 (CH) | 35.6 |
| 9 (C) | 39.9 |
| 10 (CH) | 46.1 |
| 11 (CH2) | 42 |
| 12 (CH2) | 19.6 |
| 13 (C) | 124.8 |
| 14 (CH) | 111 |
| 15 (CH) | 142.5 |
| 16 (CH) | 138.3 |
| 17 (CH3) | 17.2 |
| 18 (CH3) | 20.7 |
| 19 (CH3) | 20.3 |
| 20 (CH3) | 21 |
