Spektraris NMR
(+)-(E,2S,2'R)-2-methyl-N-[1 '-(10-oxo-3'-phenyl-prop-2'-enyl)pyrrolidin-2'-yl]butanamide
![(+)-(E,2S,2'R)-2-methyl-N-[1 '-(10-oxo-3'-phenyl-prop-2'-enyl)pyrrolidin-2'-yl]butanamide](/nmr/static/nmr/svg/12058.svg)
Common Name: (+)-(E,2S,2'R)-2-methyl-N-[1 '-(10-oxo-3'-phenyl-prop-2'-enyl)pyrrolidin-2'-yl]butanamide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C36H42N2O9/c1-6-20(2)32(40)37-28-13-10-16-38(28)33(41)31-29(21-11-8-7-9-12-21)36(22-14-15-25(45-4)24(39)17-22)34(42)35(31,43)30-26(46-5)18-23(44-3)19-27(30)47-36/h7-9,11-12,14-15,17-20,28-29,31,34,39,42-43H,6,10,13,16H2,1-5H3,(H,37,40)/t20?,28-,29-,31+,34?,35+,36+/m0/s1
InChIKey: InChIKey=MYBXMIBRAOGBTC-YJKZHMPSSA-N
Formula: C36H42N2O9
Molecular Weight: 646.728134
Exact Mass: 646.289031
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Nugroho, B.W., Edrada, R.A., Wray, V., Witte, L., Bringmann, G., Gehling, M., Proksch, P. Phytochemistry (1999) 51, 367-76
Species:
Notes: Family : Flavonoids, Type : Flavaglines; 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 |
|---|---|
| 1a (C) | 155 |
| 2 (C) | 87.9 |
| 3 (CH) | 61.8 |
| 4 (CH) | 62.2 |
| 5 (C) | 81.4 |
| 5a (C) | 113.8 |
| 6 (C) | 157.5 |
| 7 (CH) | 93.1 |
| 8 (C) | 161.8 |
| 9 (CH) | 95.2 |
| 10 (CH) | 83.6 |
| 11 (C) | 171.4 |
| 13 (CH) | 64.9 |
| 14 (CH2) | 34.3 |
| 15 (CH2) | 21.4 |
| 16 (CH2) | 46.9 |
| 18 (C) | 178.1 |
| 19 (CH) | 42.8 |
| 20 (CH2) | 27.4 |
| 21 (CH3) | 12 |
| 22 (CH3) | 17 |
| 1' (C) | 132.9 |
| 2' (CH) | 120.3 |
| 3' (CH) | 112.4 |
| 4' (C) | 148.8 |
| 5' (C) | 146.9 |
| 6' (CH) | 115.6 |
| 1'' (C) | 142 |
| 2'' (CH) | 131.8 |
| 3'' (CH) | 129 |
| 4'' (CH) | 127.3 |
| 5'' (CH) | 129 |
| 6'' (CH) | 131.8 |
| 6a (CH3) | 56.7 |
| 8a (CH3) | 56.5 |
| 4'a (CH3) | 55.8 |
