Spektraris NMR
Triptobenzene L
Common Name: Triptobenzene L
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H30O2/c1-13(2)14-5-7-16-15(11-14)6-8-17-19(16,3)10-9-18(22)20(17,4)12-21/h5,7,11,13,17-18,21-22H,6,8-10,12H2,1-4H3/t17-,18+,19-,20-/m1/s1
InChIKey: InChIKey=VDNRJEFHOMIKAY-IYWMVGAKSA-N
Formula: C20H30O2
Molecular Weight: 302.45175
Exact Mass: 302.22458
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) | 36.8 |
| 2 (CH2) | 28.6 |
| 3 (CH) | 80.7 |
| 4 (C) | 43 |
| 5 (CH) | 50.8 |
| 6 (CH2) | 19.1 |
| 7 (CH2) | 31.1 |
| 8 (C) | 134.5 |
| 9 (C) | 146.3 |
| 10 (C) | 37.2 |
| 11 (CH) | 124.6 |
| 12 (CH) | 124.2 |
| 13 (C) | 146 |
| 14 (CH) | 126.9 |
| 15 (CH) | 33.5 |
| 16 (CH3) | 24 |
| 17 (CH3) | 24 |
| 18 (CH3) | 22.6 |
| 19 (CH2) | 64.3 |
| 20 (CH3) | 26 |
