Spektraris NMR
Liginvolone B
Common Name: Liginvolone B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H28O5/c1-12(2)7-8-15-19(6)20(24-17(22)9-13(3)4)14(21)10-18(5,25-19)11-16(20)23-15/h7-8,13,16H,9-11H2,1-6H3/b15-8-/t16-,18+,19+,20-/m0/s1
InChIKey: InChIKey=UQOKTOBMOLJMHC-WVRVYLMKSA-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) | 76 |
| 2 (CH2) | 43.7 |
| 3 (C) | 71 |
| 4 (CH2) | 51.4 |
| 5 (C) | 200.4 |
| 6 (C) | 88.6 |
| 7 (C) | 82.8 |
| 8 (C) | 153.5 |
| 9 (CH) | 96.5 |
| 10 (CH) | 117.8 |
| 11 (C) | 133.7 |
| 12 (CH3) | 18.3 |
| 13 (CH3) | 26.1 |
| 14 (CH3) | 17 |
| 15 (CH3) | 25.6 |
| 6a (C) | 171.3 |
| 6b (CH2) | 43.3 |
| 6c (CH) | 25.7 |
| 6d (CH3) | 22.2 |
| 6ca (CH3) | 22.3 |
