Spektraris NMR
Isochiliolide lactone
Common Name: Isochiliolide lactone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H24O5/c1-12-4-6-18(3)17(2)7-8-20(18,25-15(17)21)19(12)10-14(24-16(19)22)13-5-9-23-11-13/h5,9,11-12,14H,4,6-8,10H2,1-3H3/t12-,14+,17+,18-,19+,20+/m1/s1
InChIKey: InChIKey=LJUJJGHPDOTAAY-DBSKKIKSSA-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) | 27.9 |
| 2 (CH2) | 28.3 |
| 3 (C) | 174 |
| 4 (C) | 50.7 |
| 5 (C) | 48.6 |
| 6 (CH2) | 24.7 |
| 7 (CH2) | 23.7 |
| 8 (CH) | 36.9 |
| 9 (C) | 54.5 |
| 10 (C) | 91.9 |
| 11 (CH2) | 39.2 |
| 12 (CH) | 70.6 |
| 13 (C) | 126.1 |
| 14 (CH) | 107.9 |
| 15 (CH) | 144.3 |
| 16 (CH) | 138.9 |
| 17 (CH3) | 15.5 |
| 18 (CH3) | 16.7 |
| 19 (CH3) | 9.2 |
| 20 (C) | 178.3 |
