Spektraris NMR
(6E,8S,10E,14R)-3,7,11,15-tetramethylhexadeca-1,6,10-trien-3,8,14,15-tetraol
Common Name: (6E,8S,10E,14R)-3,7,11,15-tetramethylhexadeca-1,6,10-trien-3,8,14,15-tetraol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H36O4/c1-7-20(6,24)14-8-9-16(3)17(21)12-10-15(2)11-13-18(22)19(4,5)23/h7,9-10,17-18,21-24H,1,8,11-14H2,2-6H3/b15-10+,16-9+/t17-,18+,20-/m1/s1
InChIKey: InChIKey=PFPFSFZDWLOUQY-CALKCLNRSA-N
Formula: C20H36O4
Molecular Weight: 340.498205
Exact Mass: 340.26136
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Cutillo, F., D'Abrosca, B., Dellagreca, M., Fiorentino, A., Zarrelli, A. Phytochemistry (2006) 67, 481-5
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Phytanes; 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) | 112.6 |
| 2 (CH) | 146.7 |
| 3 (C) | 74.3 |
| 4 (CH2) | 43.5 |
| 5 (CH2) | 23.8 |
| 6 (CH) | 127.9 |
| 7 (C) | 138.4 |
| 8 (CH) | 79.2 |
| 9 (CH2) | 35.2 |
| 10 (CH) | 122.4 |
| 11 (C) | 138.2 |
| 12 (CH2) | 38.5 |
| 13 (CH2) | 31.2 |
| 14 (CH) | 79.5 |
| 15 (C) | 74.3 |
| 16 (CH3) | 25.5 |
| 17 (CH3) | 26.1 |
| 18 (CH3) | 16.9 |
| 19 (CH3) | 11.9 |
| 20 (CH3) | 28.1 |
