Spektraris NMR
Paludolactone
Common Name: Paludolactone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H36O9/c1-9-13(4)23(29)35-21-19-17(14(5)24(30)34-19)18(33-22(28)12(2)3)20-25(7,31)11-10-16(26(20,21)8)32-15(6)27/h9,12,16-21,31H,5,10-11H2,1-4,6-8H3/b13-9-/t16-,17-,18-,19-,20+,21-,25-,26+/m1/s1
InChIKey: InChIKey=MZXMXPYZMSYHPG-WMBPETHRSA-N
Formula: C26H36O9
Molecular Weight: 492.559645
Exact Mass: 492.235933
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Cechinel Filho, V., Block, L.C., Yunes, R.A., Delle Monache, F. Nat Prod Res (2004) 18, 447-51
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Eudesmanes; 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) | 73.2 |
| 2 (CH2) | 23.1 |
| 3 (CH2) | 41.8 |
| 4 (C) | 71.1 |
| 5 (CH) | 43.8 |
| 6 (CH) | 68.1 |
| 7 (CH) | 45 |
| 8 (CH) | 72.1 |
| 9 (CH) | 69.5 |
| 10 (C) | 41.6 |
| 11 (C) | 134.2 |
| 12 (C) | 169 |
| 13 (CH2) | 119.2 |
| 14 (CH3) | 14.4 |
| 15 (CH3) | 26.4 |
| 1a (C) | 170.3 |
| 1b (CH3) | 21 |
| 6a (C) | 176.3 |
| 6b (CH) | 34.5 |
| 6c (CH3) | 18.4 |
| 6d (CH3) | 19 |
| 9a (C) | 165.1 |
| 9b (C) | 125.9 |
| 9c (CH) | 141.8 |
| 9d (CH3) | 15.8 |
| 9e (CH3) | 20.1 |
