Spektraris NMR
Liginvolone D
Common Name: Liginvolone D
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H32O7/c1-13(2)10-17(23)28-21-15(22)11-14(3)12-16(21)27-20(26-7,19(21,6)25)9-8-18(4,5)24/h8-9,11,13,16,24-25H,10,12H2,1-7H3/b9-8+/t16-,19-,20+,21-/m0/s1
InChIKey: InChIKey=YIQOINRNOSDJNN-RVLHDJBUSA-N
Formula: C21H32O7
Molecular Weight: 396.475392
Exact Mass: 396.214803
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) | 79.4 |
| 2 (CH2) | 34.7 |
| 3 (C) | 157.7 |
| 4 (CH) | 126.5 |
| 5 (C) | 191.9 |
| 6 (C) | 85.6 |
| 7 (C) | 83.9 |
| 8 (C) | 107.8 |
| 9 (CH) | 119.8 |
| 10 (CH) | 144.7 |
| 11 (C) | 70.8 |
| 12 (CH3) | 29.7 |
| 13 (CH3) | 29.9 |
| 14 (CH3) | 16.8 |
| 15 (CH3) | 24.7 |
| 6a (C) | 172.7 |
| 6b (CH2) | 43 |
| 6c (CH) | 25.9 |
| 6d (CH3) | 22.3 |
| 6ca (CH3) | 22.3 |
| 8a (CH3) | 49 |
