Spektraris NMR
Triptobenzene J
Common Name: Triptobenzene J
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H30O3/c1-12(2)13-5-7-15-14(18(13)23)6-8-16-19(15,3)10-9-17(22)20(16,4)11-21/h5,7,12,16-17,21-23H,6,8-11H2,1-4H3/t16-,17+,19-,20-/m1/s1
InChIKey: InChIKey=DQXZLBJNWNRITN-PIKOESSRSA-N
Formula: C20H30O3
Molecular Weight: 318.451155
Exact Mass: 318.219495
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Duan, H.G., Kawazoe, K., Bando, M., Kido, M., Takaishi, Y. Phytochemistry (1997) 46, 535-43
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Abietanes; 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) | 36.9 |
| 2 (CH2) | 28.5 |
| 3 (CH) | 80.6 |
| 4 (C) | 42.8 |
| 5 (CH) | 50.1 |
| 6 (CH2) | 18.3 |
| 7 (CH2) | 25 |
| 8 (C) | 120.5 |
| 9 (C) | 147.9 |
| 10 (C) | 37.1 |
| 11 (CH) | 116.6 |
| 12 (CH) | 123.5 |
| 13 (C) | 130.5 |
| 14 (C) | 150.4 |
| 15 (CH) | 26.9 |
| 16 (CH3) | 22.5 |
| 17 (CH3) | 22.5 |
| 18 (CH3) | 22.8 |
| 19 (CH2) | 64.1 |
| 20 (CH3) | 25.8 |
