Spektraris NMR
Swietephragmin F
Common Name: Swietephragmin F
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C35H42O12/c1-8-18(3)25(38)44-26-29(5)17-31(39)30(6,20(29)14-22(36)41-7)32-12-11-28(4)21(15-23(37)43-24(28)19-10-13-42-16-19)35(32)27(34(26,31)40)45-33(9-2,46-32)47-35/h8,10,13,15-16,20,24,26-27,39-40H,9,11-12,14,17H2,1-7H3/b18-8+/t20-,24-,26-,27+,28+,29+,30+,31+,32-,33?,34-,35+/m0/s1
InChIKey: InChIKey=YXUIYDNZDJXDFI-JOWJYRSQSA-N
Formula: C35H42O12
Molecular Weight: 654.702127
Exact Mass: 654.267627
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) | 84.7 |
| 2 (C) | 75.7 |
| 3 (CH) | 86.7 |
| 4 (C) | 43.7 |
| 5 (CH) | 40.1 |
| 6 (CH2) | 33.7 |
| 7 (C) | 173.9 |
| 8 (C) | 83.8 |
| 9 (C) | 86.9 |
| 10 (C) | 47.3 |
| 11 (CH2) | 25.9 |
| 12 (CH2) | 29 |
| 13 (C) | 37.7 |
| 14 (C) | 153 |
| 15 (CH) | 122.6 |
| 16 (C) | 163.1 |
| 17 (CH) | 79.7 |
| 18 (CH3) | 19.8 |
| 19 (CH3) | 15.4 |
| 20 (C) | 119.8 |
| 21 (CH) | 142.1 |
| 22 (CH) | 110.1 |
| 23 (CH) | 143.2 |
| 28 (CH3) | 14.4 |
| 29 (CH2) | 38.6 |
| 30 (CH) | 78.1 |
| 1' (C) | 121.3 |
| 2' (CH2) | 23.2 |
| 3' (CH3) | 7.6 |
| 3a (C) | 168.2 |
| 3b (C) | 130.1 |
| 3c (CH) | 139.9 |
| 3d (CH3) | 14.2 |
| 3ba (CH3) | 12.3 |
| 7a (CH3) | 52.1 |
