Spektraris NMR
Ekeberin C3
Common Name: Ekeberin C3
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C29H34O9/c1-14(30)37-21(26(34)35-6)22-27(2,3)23(32)17-11-16-18(29(22,5)24(17)33)7-9-28(4)19(16)12-20(31)38-25(28)15-8-10-36-13-15/h8,10,13,17-18,21-22,25H,7,9,11-12H2,1-6H3/t17?,18-,21+,22-,25-,28+,29+/m0/s1
InChIKey: InChIKey=GXYWZNJCGCCUAH-AURNYKFASA-N
Formula: C29H34O9
Molecular Weight: 526.575971
Exact Mass: 526.220283
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Murata, T., Miyase, T., Muregi, F.W., Naoshima-Ishibashi, Y., Umehara, K., Warashina, T., Kanou, S., Mkoji, G.M., Terada, M., Ishih, A. J Nat Prod (2008) 71, 167-74
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 (C) | 212.6 |
| 2 (CH) | 57.8 |
| 3 (C) | 209.3 |
| 4 (C) | 49.4 |
| 5 (CH) | 43.7 |
| 6 (CH) | 72.8 |
| 7 (C) | 170.7 |
| 8 (C) | 125.2 |
| 9 (CH) | 51.9 |
| 10 (C) | 54.6 |
| 11 (CH2) | 18.5 |
| 12 (CH2) | 28.4 |
| 13 (C) | 38.2 |
| 14 (C) | 134.9 |
| 15 (CH2) | 33 |
| 16 (C) | 169.4 |
| 17 (CH) | 80.5 |
| 18 (CH3) | 17.5 |
| 19 (CH3) | 17.8 |
| 20 (C) | 120.4 |
| 21 (CH) | 142.4 |
| 22 (CH) | 109.9 |
| 23 (CH) | 141.6 |
| 28 (CH3) | 20.5 |
| 29 (CH3) | 20.9 |
| 30 (CH2) | 36.3 |
| 6a (C) | 169.5 |
| 6b (CH3) | 20.9 |
| 7a (CH3) | 53.3 |
