Spektraris NMR
12-Ethoxynimbolinin D
Common Name: 12-Ethoxynimbolinin D
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C35H44O8/c1-6-40-27-15-24-34(4)26(43-32(38)20-10-8-7-9-11-20)16-25(36)33(3)18-41-29(30(33)34)31(37)35(24,5)28-19(2)22(14-23(28)42-27)21-12-13-39-17-21/h7-13,17,22-27,29-31,36-37H,6,14-16,18H2,1-5H3/t22-,23+,24-,25-,26+,27-,29-,30+,31-,33-,34+,35-/m1/s1
InChIKey: InChIKey=FNDAVUATEAXIRC-PYYWHYOHSA-N
Formula: C35H44O8
Molecular Weight: 592.720389
Exact Mass: 592.303618
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Tabapda, T.K., Liu, J., Ngadjui, B.T., Luu, B. Planta Med (2007) 73, 376-80
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) | 73.5 |
| 2 (CH2) | 30.9 |
| 3 (CH) | 70.7 |
| 4 (C) | 44.1 |
| 5 (CH) | 37.4 |
| 6 (CH) | 73.8 |
| 7 (CH) | 73.3 |
| 8 (C) | 46.3 |
| 9 (CH) | 37.3 |
| 10 (C) | 41.7 |
| 11 (CH2) | 33.1 |
| 12 (CH) | 103.5 |
| 13 (C) | 138.9 |
| 14 (C) | 143.6 |
| 15 (CH) | 81.7 |
| 16 (CH2) | 37.8 |
| 17 (CH) | 46.2 |
| 18 (CH3) | 16.1 |
| 19 (CH3) | 16.2 |
| 20 (C) | 128.6 |
| 21 (CH) | 138.9 |
| 22 (CH) | 110.5 |
| 23 (CH) | 142.8 |
| 28 (CH2) | 78.1 |
| 29 (CH3) | 19.9 |
| 30 (CH3) | 20.8 |
| 1a (C) | 164.6 |
| 1b (C) | 129.8 |
| 1c (CH) | 129.6 |
| 1d (CH) | 129 |
| 1e (CH) | 133.6 |
| 1f (CH) | 129 |
| 1g (CH) | 129.6 |
| 12a (CH2) | 63.6 |
| 12b (CH3) | 14.9 |
