Spektraris NMR
12-Ethoxynimbolinin C
Common Name: 12-Ethoxynimbolinin C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C33H46O8/c1-8-17(3)30(36)41-24-14-23(34)31(5)16-39-27-28(31)32(24,6)22-13-25(38-9-2)40-21-12-20(19-10-11-37-15-19)18(4)26(21)33(22,7)29(27)35/h8,10-11,15,20-25,27-29,34-35H,9,12-14,16H2,1-7H3/b17-8+/t20-,21+,22-,23-,24+,25-,27-,28+,29-,31-,32+,33-/m1/s1
InChIKey: InChIKey=RBDLKNGZMWJUCW-YWVCHWAISA-N
Formula: C33H46O8
Molecular Weight: 570.714799
Exact Mass: 570.319268
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Zhang, Q., Shi, Y., Liu, X.T., Liang, J.Y., Ip, N.Y., Min, Z.D. Planta Med (2007) 73, 1298-303
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) | 72.8 |
| 2 (CH2) | 30 |
| 3 (CH) | 71.2 |
| 4 (C) | 44.3 |
| 5 (CH) | 37.2 |
| 6 (CH) | 73.8 |
| 7 (CH) | 73.4 |
| 8 (C) | 46.1 |
| 9 (CH) | 34.9 |
| 10 (C) | 41.1 |
| 11 (CH2) | 32.1 |
| 12 (CH) | 96.3 |
| 13 (C) | 138.3 |
| 14 (C) | 144.6 |
| 15 (CH) | 77.2 |
| 16 (CH2) | 38 |
| 17 (CH) | 46.6 |
| 18 (CH3) | 16.1 |
| 19 (CH3) | 15.9 |
| 20 (C) | 128.8 |
| 21 (CH) | 138.9 |
| 22 (CH) | 110.4 |
| 23 (CH) | 142.8 |
| 28 (CH2) | 78.2 |
| 29 (CH3) | 20.1 |
| 30 (CH3) | 20.7 |
| 1a (C) | 165.9 |
| 1b (C) | 129 |
| 1c (CH) | 137.6 |
| 1d (CH3) | 12.3 |
| 1ba (CH3) | 14.5 |
| 12a (CH2) | 62.3 |
| 12b (CH3) | 14.8 |
