Spektraris NMR
Eucalyptone
Common Name: Eucalyptone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H38O7/c1-14(2)11-19(21-25(34)16(12-29)24(33)17(13-30)26(21)35)28(6)10-9-20(32)23(28)22-18(27(22,4)5)8-7-15(3)31/h12-14,18-19,22-23,33-35H,7-11H2,1-6H3/t18-,19?,22-,23-,28-/m1/s1
InChIKey: InChIKey=KGPNGYABEKLGJP-YGRDELDPSA-N
Formula: C28H38O7
Molecular Weight: 486.598188
Exact Mass: 486.261754
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Osawa, K., Yasuda, H., Morita, H., Takeya, K., Itokawa, H. Phytochemistry (1995) 40, 183-4
Species:
Notes: Family : Terpenoids, Type : Merosesquiterpenoids, Group : Aromadendranes; 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 (C) | 221.3 |
| 2 (CH2) | 35.8 |
| 3 (CH2) | 32.4 |
| 4 (C) | 47.6 |
| 5 (CH) | 54.8 |
| 6 (CH) | 27.3 |
| 7 (CH) | 26.5 |
| 8 (CH2) | 20.7 |
| 9 (CH2) | 44.4 |
| 10 (C) | 208.3 |
| 11 (C) | 18.2 |
| 12 (CH3) | 16 |
| 13 (CH3) | 28.9 |
| 14 (CH3) | 29.6 |
| 15 (CH3) | 21.6 |
| 1' (C) | 172.4 |
| 2' (C) | 107.1 |
| 3' (C) | 173.2 |
| 4' (C) | 107 |
| 5' (C) | 172.4 |
| 6' (C) | 105.6 |
| 7' (CH) | 191.8 |
| 8' (CH) | 191.9 |
| 9' (CH) | 39.7 |
| 10' (CH2) | 36.3 |
| 11' (CH) | 27.3 |
| 12' (CH3) | 21.6 |
| 13' (CH3) | 24.4 |
