Spektraris NMR
Roseosrachenol acetate
Common Name: Roseosrachenol acetate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H36O3/c1-8-20(5,24)11-12-22(7)15(2)9-10-21(6)16(3)13-18(14-19(21)22)25-17(4)23/h8,13,15,18-19,24H,1,9-12,14H2,2-7H3/t15-,18+,19+,20?,21+,22+/m1/s1
InChIKey: InChIKey=AMSQTUXYVDDIQQ-XNMBGZKUSA-N
Formula: C22H36O3
Molecular Weight: 348.520272
Exact Mass: 348.266445
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) | 24.5 |
| 2 (CH) | 72.5 |
| 3 (CH) | 119.9 |
| 4 (C) | 149.7 |
| 5 (C) | 38 |
| 6 (CH2) | 36.2 |
| 7 (CH2) | 27.1 |
| 8 (CH) | 35.9 |
| 9 (C) | 39.6 |
| 10 (CH) | 45 |
| 11 (CH2) | 31.6 |
| 12 (CH2) | 35.1 |
| 13 (C) | 73.1 |
| 14 (CH) | 144.8 |
| 15 (CH2) | 111.9 |
| 16 (CH3) | 27.9 |
| 17 (CH3) | 15.9 |
| 18 (CH3) | 19.6 |
| 19 (CH3) | 18.4 |
| 20 (CH3) | 17.8 |
| 2a (C) | 171.1 |
| 2b (CH3) | 21.4 |
