Spektraris NMR
Bis-norinfuscaic acid
Common Name: Bis-norinfuscaic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C18H28O3/c1-12-6-5-7-15-17(12,3)11-9-14(16(20)21)18(15,4)10-8-13(2)19/h6,14-15H,5,7-11H2,1-4H3,(H,20,21)/t14-,15-,17-,18-/m0/s1
InChIKey: InChIKey=HTPPATYWLRBHDR-LAQRGFTBSA-N
Formula: C18H28O3
Molecular Weight: 292.413802
Exact Mass: 292.203845
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Nagashima, F., Takaoka, S., Asakawa, Y. Phytochemistry (1998) 49, 601-8
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Clerodanes; 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 (CH2) | 17.8 |
| 2 (CH2) | 26.6 |
| 3 (CH) | 120.6 |
| 4 (C) | 143.6 |
| 5 (C) | 37.8 |
| 6 (CH2) | 35.5 |
| 7 (CH2) | 21.5 |
| 8 (CH) | 49.2 |
| 9 (C) | 38.2 |
| 10 (CH) | 46.5 |
| 11 (CH2) | 33.2 |
| 12 (CH2) | 37.5 |
| 13 (C) | 209.4 |
| 14 (CH3) | 30 |
| 17 (C) | 179.5 |
| 18 (CH3) | 17.9 |
| 19 (CH3) | 19.9 |
| 20 (CH3) | 19.8 |
