Spektraris NMR
odoratins C
Common Name: odoratins C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H34O9/c1-14(29)34-16-12-26(5)21(15-8-10-33-13-15)35-23(32)22-28(26,37-22)27(6)18(30)11-17-24(2,3)36-19(31)7-9-25(17,4)20(16)27/h7-10,13,16-18,20-22,30H,11-12H2,1-6H3/t16-,17-,18+,20+,21-,22+,25-,26-,27+,28+/m0/s1
InChIKey: InChIKey=XZMXAKZLHDEKJD-SFVCMNKQSA-N
Formula: C28H34O9
Molecular Weight: 514.565235
Exact Mass: 514.220283
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 (CH) | 151.5 |
| 2 (CH) | 120.2 |
| 3 (C) | 166.8 |
| 4 (C) | 84.3 |
| 5 (CH) | 43.9 |
| 6 (CH2) | 31.2 |
| 7 (CH) | 71.5 |
| 8 (C) | 43 |
| 9 (CH) | 48.3 |
| 10 (C) | 45.2 |
| 11 (CH) | 68.2 |
| 12 (CH2) | 37.3 |
| 13 (C) | 37.2 |
| 14 (C) | 69 |
| 15 (CH) | 55.4 |
| 16 (C) | 167.6 |
| 17 (CH) | 78.4 |
| 18 (CH3) | 17.6 |
| 19 (CH3) | 19.2 |
| 20 (C) | 120.2 |
| 21 (CH) | 141.2 |
| 22 (CH) | 109.8 |
| 23 (CH) | 143.2 |
| 28 (CH3) | 31.9 |
| 29 (CH3) | 26 |
| 30 (CH3) | 20.3 |
| 11a (C) | 169.9 |
| 11b (CH3) | 21.6 |
