Spektraris NMR
15a-hydroxy-ent-trachyloban-14-one
Common Name: 15a-hydroxy-ent-trachyloban-14-one
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H30O2/c1-17(2)7-5-8-18(3)12(17)6-9-20-13(18)10-11-14(15(20)21)19(11,4)16(20)22/h11-14,16,22H,5-10H2,1-4H3/t11-,12-,13+,14+,16+,18-,19+,20+/m1/s1
InChIKey: InChIKey=CHOITJDBYJCGPB-SAAAZBBESA-N
Formula: C20H30O2
Molecular Weight: 302.45175
Exact Mass: 302.22458
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Abad, A., Agullo, C., Cunat, A.C., Marzal, I.D., Navarto, I., Gris, A. Tetrahedron (2006) 62, 3266-83
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) | 39.09 |
| 2 (CH2) | 19 |
| 3 (CH2) | 42.03 |
| 4 (C) | 32.93 |
| 5 (CH) | 54.94 |
| 6 (CH2) | 18.01 |
| 7 (CH2) | 26.24 |
| 8 (C) | 51.58 |
| 9 (CH) | 57.08 |
| 10 (C) | 37.99 |
| 11 (CH2) | 19.22 |
| 12 (CH) | 35.34 |
| 13 (CH) | 36.69 |
| 14 (C) | 214.1 |
| 15 (CH) | 82.01 |
| 16 (C) | 36.89 |
| 17 (CH3) | 16.39 |
| 18 (CH3) | 33.27 |
| 19 (CH3) | 21.59 |
| 20 (CH3) | 13.52 |
