Spektraris NMR
Ekebrrin C2
Common Name: Ekebrrin C2
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H40O8/c1-8-17(2)29(36)40-28-20-13-19-21(32(6,26(20)35)23(30(28,3)4)15-24(33)37-7)9-11-31(5)22(19)14-25(34)39-27(31)18-10-12-38-16-18/h8,10,12,16,20-21,23,27-28H,9,11,13-15H2,1-7H3/b17-8-/t20?,21-,23-,27-,28+,31+,32+/m0/s1
InChIKey: InChIKey=LWYAUKBIVFFRJL-LVIBUCQVSA-N
Formula: C32H40O8
Molecular Weight: 552.656418
Exact Mass: 552.272318
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) | 218.2 |
| 2 (CH) | 48.2 |
| 3 (CH) | 79.4 |
| 4 (C) | 38.3 |
| 5 (CH) | 40.7 |
| 6 (CH2) | 33.6 |
| 7 (C) | 174.1 |
| 8 (C) | 127.6 |
| 9 (CH) | 52.3 |
| 10 (C) | 53.1 |
| 11 (CH2) | 18.8 |
| 12 (CH2) | 29.2 |
| 13 (C) | 38.3 |
| 14 (C) | 132 |
| 15 (CH2) | 32.8 |
| 16 (C) | 169.6 |
| 17 (CH) | 80.8 |
| 18 (CH3) | 17.5 |
| 19 (CH3) | 16.7 |
| 20 (C) | 120.8 |
| 21 (CH) | 141.7 |
| 22 (CH) | 110 |
| 23 (CH) | 142.8 |
| 28 (CH3) | 20.5 |
| 29 (CH3) | 23.9 |
| 30 (CH2) | 33.6 |
| 3a (C) | 167.2 |
| 3b (C) | 127.3 |
| 3c (CH) | 140.1 |
| 3d (CH3) | 15.9 |
| 3ba (CH3) | 20.7 |
| 7a (CH3) | 52 |
