Spektraris NMR
12-Ethoxynimbolinin B
Common Name: 12-Ethoxynimbolinin B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C39H48O9/c1-7-44-32-18-28-38(5)30(48-31(41)14-13-24-11-9-8-10-12-24)19-29(46-23(3)40)37(4)21-45-34(35(37)38)36(42)39(28,6)33-22(2)26(17-27(33)47-32)25-15-16-43-20-25/h8-16,20,26-30,32,34-36,42H,7,17-19,21H2,1-6H3/b14-13+/t26-,27+,28-,29-,30+,32-,34-,35+,36-,37-,38+,39-/m1/s1
InChIKey: InChIKey=FZGSUBLWWNCYEU-GHCQBJFOSA-N
Formula: C39H48O9
Molecular Weight: 660.794501
Exact Mass: 660.329833
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) | 71.3 |
| 2 (CH2) | 27.5 |
| 3 (CH) | 71.6 |
| 4 (C) | 42.8 |
| 5 (CH) | 38.4 |
| 6 (CH) | 73.9 |
| 7 (CH) | 73.5 |
| 8 (C) | 46.2 |
| 9 (CH) | 34.8 |
| 10 (C) | 40.7 |
| 11 (CH2) | 32.1 |
| 12 (CH) | 96.5 |
| 13 (C) | 138.7 |
| 14 (C) | 144.6 |
| 15 (CH) | 77.2 |
| 16 (CH2) | 38 |
| 17 (CH) | 46.7 |
| 18 (CH3) | 16.1 |
| 19 (CH3) | 15.9 |
| 20 (C) | 128.8 |
| 21 (CH) | 139 |
| 22 (CH) | 110.5 |
| 23 (CH) | 142.8 |
| 28 (CH2) | 78 |
| 29 (CH3) | 19.7 |
| 30 (CH3) | 20.8 |
| 1a (C) | 165.7 |
| 1b (CH) | 119.7 |
| 1c (CH) | 144.1 |
| 1d (C) | 134.7 |
| 1e (CH) | 127.9 |
| 1f (CH) | 129 |
| 1g (CH) | 130.2 |
| 1h (CH) | 129 |
| 1i (CH) | 127.9 |
| 3a (C) | 170.3 |
| 3b (CH3) | 21.1 |
| 12a (CH2) | 62.3 |
| 12b (CH3) | 15.1 |
