Spektraris NMR
17-nor-16-Oxo-kauran-19-oic acid
Common Name: 17-nor-16-Oxo-kauran-19-oic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C19H28O3/c1-17-7-3-8-18(2,16(21)22)14(17)6-9-19-10-12(13(20)11-19)4-5-15(17)19/h12,14-15H,3-11H2,1-2H3,(H,21,22)/t12-,14+,15+,17-,18-,19+/m1/s1
InChIKey: InChIKey=PMCAXNOWFFQTHM-KIAPVTNNSA-N
Formula: C19H28O3
Molecular Weight: 304.424538
Exact Mass: 304.203845
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Piacente, S., Aquino, R., Detommasi, N., Pizza, C., Deugaz, O.L., Orellana, H.C., Mahmood, N. Phytochemistry (1994) 36, 991-6
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Kauranes; 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) | 42.2 |
| 2 (CH2) | 19.8 |
| 3 (CH2) | 38.6 |
| 4 (C) | 43.8 |
| 5 (CH) | 58.3 |
| 6 (CH2) | 22.2 |
| 7 (CH2) | 43.9 |
| 8 (C) | 41 |
| 9 (CH) | 55.4 |
| 10 (C) | 38 |
| 11 (CH2) | 20.5 |
| 12 (CH2) | 30.1 |
| 13 (CH) | 49 |
| 14 (CH2) | 39.6 |
| 15 (CH2) | 56 |
| 16 (C) | 225 |
| 18 (CH3) | 29.1 |
| 19 (C) | 178 |
| 20 (CH3) | 16.4 |
