Spektraris NMR
3a,18,19-Trihydroxytrachylobane
Common Name: 3a,18,19-Trihydroxytrachylobane
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H32O3/c1-17-5-4-16(23)20(10-21,11-22)14(17)3-6-19-8-13-12(7-15(17)19)18(13,2)9-19/h12-16,21-23H,3-11H2,1-2H3/t12-,13-,14+,15+,16-,17-,18+,19+/m1/s1
InChIKey: InChIKey=AFGDEAFJDXIVRK-LBYBGDIDSA-N
Formula: C20H32O3
Molecular Weight: 320.467037
Exact Mass: 320.235145
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Kapingu, M.C., Guillaume, D., Mbwambo, Z.H., Moshi, M.J., Uliso, F.C., Mahunnah, R.L. Phytochemistry (2000) 54, 767-70
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) | 36.8 |
| 2 (CH2) | 26.1 |
| 3 (CH) | 75.3 |
| 4 (C) | 40.2 |
| 5 (CH) | 52.8 |
| 6 (CH2) | 19.6 |
| 7 (CH2) | 38.5 |
| 8 (C) | 45.3 |
| 9 (CH) | 49 |
| 10 (C) | 37.3 |
| 11 (CH2) | 19.9 |
| 12 (CH) | 20.2 |
| 13 (CH) | 23.9 |
| 14 (CH2) | 33 |
| 15 (CH2) | 49.9 |
| 16 (C) | 22.2 |
| 17 (CH3) | 20.2 |
| 18 (CH2) | 65.3 |
| 19 (CH2) | 62.4 |
| 20 (CH3) | 14.7 |
