Spektraris NMR
Triptobenzene M
Common Name: Triptobenzene M
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H28O3/c1-12(2)14-9-13-5-6-17-19(3,15(13)10-16(14)22)8-7-18(23)20(17,4)11-21/h9-10,12,17,21-22H,5-8,11H2,1-4H3/t17-,19-,20-/m1/s1
InChIKey: InChIKey=CJNHGLZCCQFRIU-MISYRCLQSA-N
Formula: C20H28O3
Molecular Weight: 316.435274
Exact Mass: 316.203845
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) | 37.2 |
| 2 (CH2) | 34.8 |
| 3 (C) | 220.7 |
| 4 (C) | 50.8 |
| 5 (CH) | 51.3 |
| 6 (CH2) | 19.9 |
| 7 (CH2) | 30.4 |
| 8 (C) | 126.5 |
| 9 (C) | 144.9 |
| 10 (C) | 36.8 |
| 11 (CH) | 112.2 |
| 12 (C) | 151.2 |
| 13 (C) | 132.6 |
| 14 (CH) | 126.7 |
| 15 (CH) | 26.8 |
| 16 (CH3) | 22.5 |
| 17 (CH3) | 22.7 |
| 18 (CH3) | 22.3 |
| 19 (CH2) | 65.8 |
| 20 (CH3) | 25.7 |
