Spektraris NMR
Cucurbitacin E
Common Name: Cucurbitacin E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H44O8/c1-17(33)40-27(2,3)13-12-23(36)32(9,39)25-21(35)15-29(6)22-11-10-18-19(14-20(34)26(38)28(18,4)5)31(22,8)24(37)16-30(25,29)7/h10,12-14,19,21-22,25,34-35,39H,11,15-16H2,1-9H3/b13-12+/t19-,21-,22+,25+,29+,30-,31+,32+/m1/s1
InChIKey: InChIKey=NDYMQXYDSVBNLL-MUYMLXPFSA-N
Formula: C32H44O8
Molecular Weight: 556.688181
Exact Mass: 556.303618
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Seger, C., Sturm, S., Mair, M.E., Ellmerer, E.P., Stuppner, H. Magn Reson Chem (2005) 43, 489-91
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Cucurbitanes; 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) | 114.8 |
| 2 (C) | 144.5 |
| 3 (C) | 198.7 |
| 4 (C) | 47.5 |
| 5 (C) | 136.7 |
| 6 (CH) | 120.8 |
| 7 (CH2) | 23.6 |
| 8 (CH) | 41.6 |
| 9 (C) | 48.8 |
| 10 (CH) | 34.7 |
| 11 (C) | 212.8 |
| 12 (CH2) | 48.8 |
| 13 (C) | 50.7 |
| 14 (C) | 48.3 |
| 15 (CH2) | 45.5 |
| 16 (CH) | 71.3 |
| 17 (CH) | 58.2 |
| 18 (CH3) | 19.8 |
| 19 (CH3) | 20.1 |
| 20 (C) | 78.2 |
| 21 (CH3) | 24 |
| 22 (C) | 202.4 |
| 23 (CH) | 120.3 |
| 24 (CH) | 152 |
| 25 (C) | 79.3 |
| 26 (CH3) | 26.4 |
| 27 (CH3) | 25.9 |
| 28 (CH3) | 27.9 |
| 29 (CH3) | 20.2 |
| 30 (CH3) | 18.3 |
| 25a (C) | 170.3 |
| 25b (CH3) | 21.9 |
