Spektraris NMR
Triptobenzene A
Common Name: Triptobenzene A
Synonyms: Triptobenzene A
CAS Registry Number:
InChI: InChI=1S/C20H28O3/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/h5,7,12,16,21,23H,6,8-11H2,1-4H3/t16-,19-,20-/m1/s1
InChIKey: InChIKey=TZJRHFCKOBGRSH-NSISKUIASA-N
Formula: C20H28O3
Molecular Weight: 316.435274
Exact Mass: 316.203845
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Morota, T., Qin, W.Z., Takagi, K., Xu, L.H., Maruno, M., Yang, B.H. Phytochemistry (1995) 40, 865-70
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) | 37.3 |
| 2 (CH2) | 35 |
| 3 (C) | 220 |
| 4 (C) | 51.1 |
| 5 (CH) | 50.8 |
| 6 (CH2) | 19.1 |
| 7 (CH2) | 24.8 |
| 8 (C) | 120.7 |
| 9 (C) | 130.5 |
| 10 (C) | 36.9 |
| 11 (CH) | 117.7 |
| 12 (CH) | 123.7 |
| 13 (C) | 145.6 |
| 14 (C) | 150.1 |
| 15 (CH) | 26.9 |
| 16 (CH3) | 22.5 |
| 17 (CH3) | 22.7 |
| 18 (CH3) | 22.1 |
| 19 (CH2) | 65.7 |
| 20 (CH3) | 25.4 |
