Spektraris NMR
odoralide
Common Name: odoralide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C27H36O8/c1-25(2)20(19(29)24(32)33-5)27(4)16-6-8-26(3)17(14(16)10-15(21(25)30)22(27)31)11-18(28)35-23(26)13-7-9-34-12-13/h7,9,12,14-17,19-21,23,29-30H,6,8,10-11H2,1-5H3/t14-,15+,16+,17+,19+,20+,21-,23+,26-,27-/m1/s1
InChIKey: InChIKey=FCPCHIJLKNEVQH-QXIDGFBVSA-N
Formula: C27H36O8
Molecular Weight: 488.570976
Exact Mass: 488.241018
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Kipassa, N.T., Iwagawa, T., Okamura, H., Doe, M., Morimoto, Y., Nakatani, M. Phytochemistry (2008) 69, 1782-7
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Limonoids; 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 (CH) | 48.8 |
| 3 (CH) | 78.7 |
| 4 (C) | 39.8 |
| 5 (CH) | 43.9 |
| 6 (CH) | 73.2 |
| 7 (C) | 177 |
| 8 (CH) | 35.2 |
| 9 (CH) | 59.1 |
| 10 (C) | 51.4 |
| 11 (CH2) | 21.3 |
| 12 (CH2) | 35.3 |
| 13 (C) | 35.6 |
| 14 (CH) | 45.4 |
| 15 (CH2) | 30.5 |
| 16 (C) | 171.2 |
| 17 (CH) | 76.6 |
| 18 (CH3) | 21.8 |
| 19 (CH3) | 17 |
| 20 (C) | 121.4 |
| 21 (CH) | 140.7 |
| 22 (CH) | 109.7 |
| 23 (CH) | 143.4 |
| 28 (CH3) | 23.6 |
| 29 (CH3) | 22.5 |
| 30 (CH2) | 36.6 |
| 7a (CH3) | 53.4 |
