Spektraris NMR
Trachylobane-3,14,15-trione
Common Name: Trachylobane-3,14,15-trione
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H26O3/c1-17(2)11-5-8-20-12(18(11,3)7-6-13(17)21)9-10-14(15(20)22)19(10,4)16(20)23/h10-12,14H,5-9H2,1-4H3/t10?,11-,12+,14+,18-,19+,20+/m0/s1
InChIKey: InChIKey=ZYMHAOMKSGLSHJ-HWQVWIENSA-N
Formula: C20H26O3
Molecular Weight: 314.419392
Exact Mass: 314.188195
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Baccelli, C., Navarro, I., Block, S., Abad, A., More, N., Quetin-Leclercq, J. J Nat Prod (2007) 70, 910-7
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) | 37.69 |
| 2 (CH2) | 33.83 |
| 3 (C) | 215.41 |
| 4 (C) | 49.09 |
| 5 (CH) | 53.89 |
| 6 (CH2) | 18.84 |
| 7 (CH2) | 21.62 |
| 8 (C) | 55.36 |
| 9 (CH) | 59.67 |
| 10 (C) | 38.22 |
| 11 (CH2) | 19.11 |
| 12 (CH) | 43.15 |
| 13 (CH) | 46.88 |
| 14 (C) | 206.56 |
| 15 (C) | 205.86 |
| 16 (C) | 47.48 |
| 17 (CH3) | 12.69 |
| 18 (CH3) | 25.42 |
| 19 (CH3) | 21.64 |
| 20 (CH3) | 12.87 |
