Spektraris NMR
odoratins A
Common Name: odoratins A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H36O10/c1-15(31)36-18-13-28(6)23(17-9-11-35-14-17)38-25(34)24-30(28,40-24)29(7)20(37-16(2)32)12-19-26(3,4)39-21(33)8-10-27(19,5)22(18)29/h8-11,14,18-20,22-24H,12-13H2,1-7H3/t18-,19-,20+,22+,23-,24+,27-,28-,29+,30+/m0/s1
InChIKey: InChIKey=KBHXMBRAEKSSSL-YOEPIPLCSA-N
Formula: C30H36O10
Molecular Weight: 556.601993
Exact Mass: 556.230847
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) | 149.8 |
| 2 (CH) | 120 |
| 3 (C) | 166.4 |
| 4 (C) | 83.9 |
| 5 (CH) | 45.5 |
| 6 (CH2) | 27 |
| 7 (CH) | 74.1 |
| 8 (C) | 42 |
| 9 (CH) | 49.5 |
| 10 (C) | 45.5 |
| 11 (CH) | 67.7 |
| 12 (CH2) | 36.5 |
| 13 (C) | 37.6 |
| 14 (C) | 68.6 |
| 15 (CH) | 55.2 |
| 16 (C) | 166.7 |
| 17 (CH) | 78 |
| 18 (CH3) | 17.2 |
| 19 (CH3) | 19.4 |
| 20 (C) | 119.7 |
| 21 (CH) | 141.3 |
| 22 (CH) | 109.7 |
| 23 (CH) | 143.4 |
| 28 (CH3) | 31.8 |
| 29 (CH3) | 25.5 |
| 30 (CH3) | 20.1 |
| 7a (C) | 169.7 |
| 7b (CH3) | 21.2 |
| 11a (C) | 169.7 |
| 11b (CH3) | 21.5 |
