Spektraris NMR
12-O-ethyl-1-deacetylnimbolinin B
Common Name: 12-O-ethyl-1-deacetylnimbolinin B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C33H42O8/c1-8-17(2)30(36)41-25-14-24(39-19(4)35)31(5)16-38-27-28(31)32(25,6)23(9-11-34)33(7)26-18(3)21(20-10-12-37-15-20)13-22(26)40-29(27)33/h8,10-12,15,21-25,27-29H,9,13-14,16H2,1-7H3/b17-8+/t21-,22?,23-,24-,25+,27-,28+,29-,31-,32+,33-/m1/s1
InChIKey: InChIKey=XJWBUPPOPBKVSY-SHASXDCESA-N
Formula: C33H42O8
Molecular Weight: 566.683036
Exact Mass: 566.287968
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Xie, F., Zhang, C.F., Zhang, M., Wang, Z.T., Yu, B.Y. Chin Chem Lett (2008) 19, 183-6
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) | 71.3 |
| 2 (CH2) | 27.9 |
| 3 (CH) | 71.2 |
| 4 (C) | 42.6 |
| 5 (CH) | 39.9 |
| 6 (CH) | 72.5 |
| 7 (CH) | 85.5 |
| 8 (C) | 48.5 |
| 9 (CH) | 38 |
| 10 (C) | 40.5 |
| 11 (CH2) | 40.4 |
| 12 (CH) | 199.2 |
| 13 (C) | 136.3 |
| 14 (C) | 145.5 |
| 15 (CH) | 87.8 |
| 16 (CH2) | 41.7 |
| 17 (CH) | 49.4 |
| 18 (CH3) | 13.4 |
| 19 (CH3) | 15.3 |
| 20 (C) | 126.6 |
| 21 (CH) | 138.3 |
| 22 (CH) | 109.8 |
| 23 (CH) | 143.1 |
| 28 (CH2) | 77.6 |
| 29 (CH3) | 19.4 |
| 30 (CH3) | 16.7 |
| 1a (C) | 170.2 |
| 1b (C) | 20.8 |
| 1c (CH) | 166.2 |
| 1d (CH3) | 128.6 |
| 1ba (CH3) | 138 |
| 3a (C) | 14.2 |
| 3b (CH3) | 11.9 |
