Spektraris NMR
Liginvolone C
Common Name: Liginvolone C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H38O6/c1-5-6-7-8-9-10-11-12-22(27)29-17-18(2)13-14-20-24(4)25(28)19(26)15-23(3,31-24)16-21(25)30-20/h13-14,21,28H,5-12,15-17H2,1-4H3/b18-13-,20-14-/t21-,23+,24+,25-/m0/s1
InChIKey: InChIKey=OQFSMMIFTJOIJY-YKXZBOJPSA-N
Formula: C25H38O6
Molecular Weight: 434.566576
Exact Mass: 434.266839
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Shibano, M., Okuno, A., Taniguchi, M., Baba, K., Wang, N.H. J Nat Prod (2005) 68, 1445-9
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Bisabolanes; 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) | 79.6 |
| 2 (CH2) | 43.6 |
| 3 (C) | 70.8 |
| 4 (CH2) | 49.9 |
| 5 (C) | 208 |
| 6 (C) | 84.3 |
| 7 (C) | 83.1 |
| 8 (C) | 156.2 |
| 9 (CH) | 95.1 |
| 10 (CH) | 122.8 |
| 11 (C) | 129.9 |
| 12 (CH2) | 63 |
| 13 (CH3) | 21.7 |
| 14 (CH3) | 16.6 |
| 15 (CH3) | 25.6 |
| 12a (C) | 173.9 |
| 12b (CH2) | 34.3 |
| 12c (CH2) | 31.8 |
| 12d (CH2) | 25 |
| 12e (CH2) | 25 |
| 12f (CH2) | 25 |
| 12g (CH2) | 22.6 |
| 12h (CH2) | 22.6 |
| 12i (CH2) | 22.6 |
| 12j (CH3) | 14.1 |
