Spektraris NMR
Triptobenzene K
Common Name: Triptobenzene K
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H22O5/c1-9(2)11-6-15(22)17-16(18(11)23)14(21)7-13-12-8-25-19(24)10(12)4-5-20(13,17)3/h6,9,13,22-23H,4-5,7-8H2,1-3H3/t13-,20-/m0/s1
InChIKey: InChIKey=WEYINIKPYXLZCS-RBZFPXEDSA-N
Formula: C20H22O5
Molecular Weight: 342.386439
Exact Mass: 342.146724
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 : Abeo-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) | 30.6 |
| 2 (CH2) | 18.2 |
| 3 (C) | 126.4 |
| 4 (C) | 159.9 |
| 5 (CH) | 41.4 |
| 6 (CH2) | 36.1 |
| 7 (C) | 202.7 |
| 8 (C) | 115.5 |
| 9 (C) | 156.7 |
| 10 (C) | 37.7 |
| 11 (C) | 137.3 |
| 12 (CH) | 124.5 |
| 13 (C) | 130.9 |
| 14 (C) | 144.8 |
| 15 (CH) | 26.1 |
| 16 (CH3) | 22.1 |
| 17 (CH3) | 22.2 |
| 18 (CH2) | 173.7 |
| 19 (C) | 70.1 |
| 20 (CH3) | 16.2 |
