Spektraris NMR
ent-Trachyloban-3-one
Common Name: ent-Trachyloban-3-one
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H30O/c1-17(2)14-5-8-20-10-13-12(19(13,4)11-20)9-15(20)18(14,3)7-6-16(17)21/h12-15H,5-11H2,1-4H3/t12-,13-,14-,15+,18-,19+,20+/m1/s1
InChIKey: InChIKey=DVXUPVLGDAAEFK-MGOAHOADSA-N
Formula: C20H30O1
Molecular Weight: 286.452345
Exact Mass: 286.229666
NMR Solvent: C+C
MHz:
Calibration:
NMR references: 13C - Block, S., Baccelli, C., Tinant, B., Van Meervelt, L., Rozenberg, R., Habib Jiwan, J.L., Llabres, G., De Pauw-Gillet, M.C., Quetin-Leclercq, J. Phytochemistry (2004) 65, 1165-71
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) | 38 |
| 2 (CH2) | 34.1 |
| 3 (C) | 217.5 |
| 4 (C) | 47.6 |
| 5 (CH) | 55.5 |
| 6 (CH2) | 21.1 |
| 7 (CH2) | 38.3 |
| 8 (C) | 40.4 |
| 9 (CH) | 52.4 |
| 10 (C) | 37.7 |
| 11 (CH2) | 19.6 |
| 12 (CH) | 20.5 |
| 13 (CH) | 24.2 |
| 14 (CH2) | 33.2 |
| 15 (CH2) | 50.2 |
| 16 (C) | 22.5 |
| 17 (CH3) | 20.4 |
| 18 (CH3) | 26 |
| 19 (CH3) | 21.5 |
| 20 (CH3) | 14.1 |
