Spektraris NMR
8,13-Dioxo-15,16,20-trinorlabdan-19-oic acid
Common Name: 8,13-Dioxo-15,16,20-trinorlabdan-19-oic acid
Synonyms: 8,13-Dioxo-15,16,20-trinorlabdan-19-oic acid
CAS Registry Number:
InChI: InChI=1S/C17H26O4/c1-11(18)5-6-12-13(19)7-8-14-16(12,2)9-4-10-17(14,3)15(20)21/h12,14H,4-10H2,1-3H3,(H,20,21)/t12-,14+,16+,17-/m0/s1
InChIKey: InChIKey=FNOAGICHBKKJLR-JFOHDYCDSA-N
Formula: C17H26O4
Molecular Weight: 294.38659
Exact Mass: 294.183109
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Nagashima, F., Momosaki, S., Watanabe, Y., Toyota, M., Huneck, S. Phytochemistry (1996) 41, 207-11
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Labdanes; 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) | 39.2 |
| 2 (CH2) | 19.6 |
| 3 (CH2) | 37.7 |
| 4 (C) | 44.2 |
| 5 (CH) | 54.8 |
| 6 (CH2) | 25.4 |
| 7 (CH2) | 43 |
| 8 (C) | 211.7 |
| 9 (CH) | 62.1 |
| 10 (C) | 43.7 |
| 11 (CH2) | 16.3 |
| 12 (CH2) | 42.6 |
| 13 (C) | 209.3 |
| 14 (CH3) | 29.9 |
| 18 (CH3) | 29 |
| 19 (C) | 182.9 |
| 20 (CH3) | 13.2 |
