Spektraris NMR
ent-18-Hydroxy-trachyloban-3-one
Common Name: ent-18-Hydroxy-trachyloban-3-one
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H30O2/c1-17-6-5-16(22)19(3,11-21)14(17)4-7-20-9-13-12(8-15(17)20)18(13,2)10-20/h12-15,21H,4-11H2,1-3H3/t12-,13-,14+,15+,17-,18+,19-,20+/m1/s1
InChIKey: InChIKey=GEANNTVLCDDBTE-JVMIEYSASA-N
Formula: C20H30O2
Molecular Weight: 302.45175
Exact Mass: 302.22458
NMR Solvent: CDCl3
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) | 35 |
| 3 (C) | 219.1 |
| 4 (C) | 52.5 |
| 5 (CH) | 52.3 |
| 6 (CH2) | 20.6 |
| 7 (CH2) | 37.8 |
| 8 (C) | 40.4 |
| 9 (CH) | 49.2 |
| 10 (C) | 37.5 |
| 11 (CH2) | 19.7 |
| 12 (CH) | 20.4 |
| 13 (CH) | 24.2 |
| 14 (CH2) | 33.5 |
| 15 (CH2) | 50.2 |
| 16 (C) | 22.5 |
| 17 (CH3) | 20.5 |
| 18 (CH2) | 66.8 |
| 19 (CH3) | 16.8 |
| 20 (CH3) | 14.4 |
