Spektraris NMR
Roseotetrol
Common Name: Roseotetrol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H36O4/c1-7-17(3,23)10-11-18(4)13(2)8-9-19(5)15(18)12-14(21)16(22)20(19,6)24/h7,13-16,21-24H,1,8-12H2,2-6H3/t13-,14-,15-,16-,17?,18+,19-,20+/m1/s1
InChIKey: InChIKey=POYQRVMPOBIHHI-AXKZPSBTSA-N
Formula: C20H36O4
Molecular Weight: 340.498205
Exact Mass: 340.26136
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Fazio, C., Paternostro, M.P., Passannanti, S., Piozzi, F. Phytochemistry (1994) 37, 501-3
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Clerodanes; 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) | 25 |
| 2 (CH) | 70.5 |
| 3 (CH) | 65.1 |
| 4 (C) | 70 |
| 5 (C) | 36.2 |
| 6 (CH2) | 36.7 |
| 7 (CH2) | 27.9 |
| 8 (CH) | 35.7 |
| 9 (C) | 38.5 |
| 10 (CH) | 46.3 |
| 11 (CH2) | 31.7 |
| 12 (CH2) | 35.2 |
| 13 (C) | 73 |
| 14 (CH) | 144.7 |
| 15 (CH2) | 112 |
| 16 (CH3) | 27.9 |
| 17 (CH3) | 15.8 |
| 18 (CH3) | 19.4 |
| 19 (CH3) | 18.7 |
| 20 (CH3) | 16.5 |
