Spektraris NMR
2α,18,19-ent-Trachylobantriol
Common Name: 2α,18,19-ent-Trachylobantriol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H32O3/c1-17-6-12(23)7-20(10-21,11-22)15(17)3-4-19-8-14-13(5-16(17)19)18(14,2)9-19/h12-16,21-23H,3-11H2,1-2H3/t12-,13+,14+,15-,16-,17+,18-,19-/m0/s1
InChIKey: InChIKey=CUMUGEMLYYDSSL-SPGBDCRFSA-N
Formula: C20H32O3
Molecular Weight: 320.467037
Exact Mass: 320.235145
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Juma, B.F., Midiwo, J.O., Yenesew, A., Waterman, P.G., Heydenreich, M., Peter, M.G. Phytochemistry (2006) 67, 1322-5
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) | 49.9 |
| 2 (CH) | 64.2 |
| 3 (CH2) | 41.3 |
| 4 (C) | 45.3 |
| 5 (CH) | 50.6 |
| 6 (CH2) | 21.2 |
| 7 (CH2) | 40 |
| 8 (C) | 41.3 |
| 9 (CH) | 54.1 |
| 10 (C) | 40 |
| 11 (CH2) | 20.6 |
| 12 (CH) | 21.4 |
| 13 (CH) | 25.1 |
| 14 (CH2) | 34.2 |
| 15 (CH2) | 51.1 |
| 16 (C) | 23.1 |
| 17 (CH3) | 21.1 |
| 18 (CH2) | 70.1 |
| 19 (CH2) | 64.7 |
| 20 (CH3) | 17 |
