Spektraris NMR
Seco-chiliolide lactone
Common Name: Seco-chiliolide lactone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H24O5/c1-12(2)20-8-6-13(3)19(16(20)4-5-17(21)25-20)10-15(24-18(19)22)14-7-9-23-11-14/h7,9,11,13,15-16H,1,4-6,8,10H2,2-3H3/t13-,15+,16-,19-,20-/m1/s1
InChIKey: InChIKey=LFYGUJGWDAXFFQ-JCRWAUQASA-N
Formula: C20H24O5
Molecular Weight: 344.402321
Exact Mass: 344.162374
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) | 18.9 |
| 2 (CH2) | 43.8 |
| 3 (C) | 170.9 |
| 4 (C) | 147.5 |
| 5 (C) | 85.4 |
| 6 (CH2) | 25 |
| 7 (CH2) | 24.9 |
| 8 (CH) | 39.9 |
| 9 (C) | 50.2 |
| 10 (CH) | 41.8 |
| 11 (CH2) | 35.8 |
| 12 (CH) | 71.6 |
| 13 (C) | 125.3 |
| 14 (CH) | 108 |
| 15 (CH) | 144.2 |
| 16 (CH) | 139.4 |
| 17 (CH3) | 16.8 |
| 18 (CH3) | 19.7 |
| 19 (CH2) | 113.9 |
| 20 (C) | 176.4 |
