Spektraris NMR
Lappadilactone
Common Name: Lappadilactone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H38O6/c1-15-7-9-20-24(22-16(2)6-8-18(15)22)36-27(33)30(20,34)14-28(4)12-11-21(31)29(5)13-10-19-17(3)26(32)35-23(19)25(28)29/h18-20,22-25,34H,1-3,6-14H2,4-5H3/t18-,19-,20+,22-,23-,24-,25-,28-,29-,30+/m0/s1
InChIKey: InChIKey=DLIISCBVNDNVDV-CSRVTHLVSA-N
Formula: C30H38O6
Molecular Weight: 494.620255
Exact Mass: 494.266839
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Sun, C.M., Syu, W.J., Don, M.J., Lu, J.J., Lee, G.H. J Nat Prod (2003) 66, 1175-80
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Guaianes; 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) | 47.7 |
| 2 (CH2) | 30.1 |
| 3 (CH2) | 32.2 |
| 4 (C) | 151.4 |
| 5 (CH) | 52.4 |
| 6 (CH) | 84.1 |
| 7 (CH) | 49.2 |
| 8 (CH2) | 25.3 |
| 9 (CH2) | 35.7 |
| 10 (C) | 149.6 |
| 11 (C) | 77.1 |
| 12 (C) | 177.2 |
| 13 (CH2) | 46.8 |
| 14 (CH2) | 112.3 |
| 15 (CH2) | 109.6 |
| 16 (C) | 214.3 |
| 17 (CH2) | 34.9 |
| 18 (CH2) | 31.6 |
| 19 (C) | 34.7 |
| 20 (CH) | 53.4 |
| 21 (CH) | 80.7 |
| 22 (CH) | 50.2 |
| 23 (CH2) | 21.1 |
| 24 (CH2) | 35.5 |
| 25 (C) | 49 |
| 26 (C) | 138.2 |
| 27 (C) | 169.9 |
| 28 (CH2) | 118.1 |
| 29 (CH3) | 19.7 |
| 30 (CH3) | 24.4 |
