Spektraris NMR
Liginvolone A
Common Name: Liginvolone A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H28O5/c1-12(2)7-8-16-19(6,23)20(25-18(22)9-13(3)4)15(21)10-14(5)11-17(20)24-16/h7-8,10,13,17,23H,9,11H2,1-6H3/b16-8-/t17-,19-,20-/m0/s1
InChIKey: InChIKey=GDEJFCBKFPLWAP-CKJSNJFBSA-N
Formula: C20H28O5
Molecular Weight: 348.434084
Exact Mass: 348.193674
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) | 81.5 |
| 2 (CH2) | 37.8 |
| 3 (C) | 158.5 |
| 4 (CH) | 127.2 |
| 5 (C) | 191.5 |
| 6 (C) | 84.3 |
| 7 (C) | 80.5 |
| 8 (C) | 156.6 |
| 9 (CH) | 96.2 |
| 10 (CH) | 117.7 |
| 11 (C) | 133.7 |
| 12 (CH3) | 18.2 |
| 13 (CH3) | 26.1 |
| 14 (CH3) | 20.7 |
| 15 (CH3) | 24.5 |
| 6a (C) | 172 |
| 6b (CH2) | 42.9 |
| 6c (CH) | 25.7 |
| 6d (CH3) | 25.2 |
| 6ca (CH3) | 22.3 |
