Spektraris NMR
Triptobenzene N
Common Name: Triptobenzene N
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H26O3/c1-12(2)13-5-6-15-14(9-13)16(22)10-17-19(15,3)8-7-18(23)20(17,4)11-21/h5-6,9,12,17,21H,7-8,10-11H2,1-4H3/t17-,19-,20-/m1/s1
InChIKey: InChIKey=AILBGNUDAQUSML-MISYRCLQSA-N
Formula: C20H26O3
Molecular Weight: 314.419392
Exact Mass: 314.188195
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Duan, H., Takaishi, Y., Momota, H., Ohmoto, Y., Taki, T., Jia, Y., Li, D. J Nat Prod (1999) 62, 1522-5
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) | 36.3 |
| 2 (CH2) | 35.4 |
| 3 (C) | 215.2 |
| 4 (C) | 52.2 |
| 5 (CH) | 50 |
| 6 (CH2) | 36.2 |
| 7 (C) | 197.9 |
| 8 (C) | 130.3 |
| 9 (C) | 151 |
| 10 (C) | 37.3 |
| 11 (CH) | 124.5 |
| 12 (CH) | 133 |
| 13 (C) | 147.7 |
| 14 (CH) | 125.3 |
| 15 (CH) | 33.7 |
| 16 (CH3) | 23.8 |
| 17 (CH3) | 23.9 |
| 18 (CH3) | 21.4 |
| 19 (CH2) | 65.6 |
| 20 (CH3) | 23.6 |
