Spektraris NMR
2-Oxo-ent-haliman-1(10),7-dien-15-oic acid
Common Name: 2-Oxo-ent-haliman-1(10),7-dien-15-oic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H30O3/c1-13(10-18(22)23)8-9-20(5)14(2)6-7-16-17(20)11-15(21)12-19(16,3)4/h6,11,13,16H,7-10,12H2,1-5H3,(H,22,23)/t13-,16?,20+/m0/s1
InChIKey: InChIKey=QZOXFPXAAQSWEA-MJSSGPPGSA-N
Formula: C20H30O3
Molecular Weight: 318.451155
Exact Mass: 318.219495
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Favier, L.S., Nieto, M., Giordano, O.S., Tonn, C.E. Phytochemistry (1997) 45, 1469-74
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Halimanes; 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) | 124.5 |
| 2 (C) | 210.7 |
| 3 (CH2) | 38.7 |
| 4 (C) | 43.4 |
| 5 (CH) | 47.9 |
| 6 (CH2) | 23 |
| 7 (CH) | 122.2 |
| 8 (C) | 135 |
| 9 (C) | 37.8 |
| 10 (C) | 143.8 |
| 11 (CH2) | 24.7 |
| 12 (CH2) | 29.6 |
| 13 (CH) | 30.8 |
| 14 (CH2) | 41.2 |
| 15 (C) | 178.6 |
| 16 (CH3) | 22.2 |
| 17 (CH3) | 22.1 |
| 18 (CH3) | 24.9 |
| 19 (CH3) | 19.5 |
| 20 (CH3) | 14.9 |
