Spektraris NMR
ent-Trachiyloban-19-oic acid
Common Name: ent-Trachiyloban-19-oic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H30O2/c1-17-6-4-7-18(2,16(21)22)14(17)5-8-20-10-13-12(9-15(17)20)19(13,3)11-20/h12-15H,4-11H2,1-3H3,(H,21,22)/t12-,13-,14+,15+,17-,18-,19+,20+/m1/s1
InChIKey: InChIKey=FLGAFUAMEXILLB-VDZNUMISSA-N
Formula: C20H30O2
Molecular Weight: 302.45175
Exact Mass: 302.22458
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Leong, Y.W., Harrison, L.J. Phytochemistry (1997) 45, 1457-9
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Trachylobanes; 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) | 39.5 |
| 2 (CH2) | 18.7 |
| 3 (CH2) | 37.8 |
| 4 (C) | 43.7 |
| 5 (CH) | 57 |
| 6 (CH2) | 21.8 |
| 7 (CH2) | 39.2 |
| 8 (C) | 40.8 |
| 9 (CH) | 52.2 |
| 10 (C) | 38.9 |
| 11 (CH2) | 19.7 |
| 12 (CH) | 20.6 |
| 13 (CH) | 24.3 |
| 14 (CH2) | 33.1 |
| 15 (CH2) | 50.4 |
| 16 (C) | 22.4 |
| 17 (CH3) | 20.6 |
| 18 (CH3) | 28.9 |
| 19 (C) | 184.7 |
| 20 (CH3) | 12.5 |
