Spektraris NMR
Swietephragmin E
Common Name: Swietephragmin E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C37H46O13/c1-9-18(3)26(40)47-28-31(6)17-33(42)32(7,24(31)23(39)27(41)44-8)34-13-12-30(5)21(15-22(38)46-25(30)20-11-14-45-16-20)36(34)29(35(28,33)43)48-37(49-34,50-36)19(4)10-2/h9,11,14-16,19,23-25,28-29,39,42-43H,10,12-13,17H2,1-8H3/b18-9+/t19?,23-,24-,25-,28-,29+,30+,31+,32+,33+,34-,35-,36+,37?/m0/s1
InChIKey: InChIKey=JTGDLRQPWQUGEM-JPDLJFLJSA-N
Formula: C37H46O13
Molecular Weight: 698.754767
Exact Mass: 698.293842
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Abdelgaleil, S.A., Doe, M., Morimoto, Y., Nakatani, M. Phytochemistry (2006) 67, 452-8
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) | 84.6 |
| 2 (C) | 75.6 |
| 3 (CH) | 87.5 |
| 4 (C) | 43.4 |
| 5 (CH) | 45.5 |
| 6 (CH) | 71.6 |
| 7 (C) | 174.5 |
| 8 (C) | 83.6 |
| 9 (C) | 87 |
| 10 (C) | 48.4 |
| 11 (CH2) | 25.6 |
| 12 (CH2) | 29.4 |
| 13 (C) | 37.8 |
| 14 (C) | 153.1 |
| 15 (CH) | 122.1 |
| 16 (C) | 162.7 |
| 17 (CH) | 80 |
| 18 (CH3) | 19.8 |
| 19 (CH3) | 17.4 |
| 20 (C) | 119.6 |
| 21 (CH) | 141.4 |
| 22 (CH) | 109.8 |
| 23 (CH) | 143.2 |
| 28 (CH3) | 15.6 |
| 29 (CH2) | 39.8 |
| 30 (CH) | 77.7 |
| 1' (C) | 122.5 |
| 2' (CH) | 35.5 |
| 3' (CH2) | 23.7 |
| 4' (CH3) | 11.6 |
| 5' (CH3) | 13.3 |
| 3a (C) | 167.7 |
| 3b (C) | 130.2 |
| 3c (CH) | 139 |
| 3d (CH3) | 14.4 |
| 3ba (CH3) | 12.5 |
| 7a (CH3) | 52.3 |
