Spektraris NMR
Swietephragmin B
Common Name: Swietephragmin B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C39H48O13/c1-10-20(3)29(43)48-30-33(7)19-35(44)34(8,24(33)16-26(41)45-9)36-14-13-32(6)25(17-27(42)47-28(32)23-12-15-46-18-23)37(36)31(38(30,35)49-22(5)40)50-39(51-36,52-37)21(4)11-2/h10,12,15,17-18,21,24,28,30-31,44H,11,13-14,16,19H2,1-9H3/b20-10+/t21?,24-,28-,30-,31-,32+,33+,34+,35+,36-,37+,38-,39?/m0/s1
InChIKey: InChIKey=HOKJOPUNHSFUMB-XBWZWVBPSA-N
Formula: C39H48O13
Molecular Weight: 724.79212
Exact Mass: 724.309492
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) | 84 |
| 3 (CH) | 84.7 |
| 4 (C) | 44.7 |
| 5 (CH) | 39.6 |
| 6 (CH2) | 33.7 |
| 7 (C) | 173.9 |
| 8 (C) | 83.7 |
| 9 (C) | 85.7 |
| 10 (C) | 48 |
| 11 (CH2) | 26 |
| 12 (CH2) | 29.3 |
| 13 (C) | 37.7 |
| 14 (C) | 151.8 |
| 15 (CH) | 123.4 |
| 16 (C) | 163.6 |
| 17 (CH) | 79.8 |
| 18 (CH3) | 19.2 |
| 19 (CH3) | 15.4 |
| 20 (C) | 119.9 |
| 21 (CH) | 142 |
| 22 (CH) | 110.2 |
| 23 (CH) | 143.2 |
| 28 (CH3) | 13.8 |
| 29 (CH2) | 39 |
| 30 (CH) | 73.7 |
| 1' (C) | 123 |
| 2' (CH) | 35.4 |
| 3' (CH2) | 23.6 |
| 4' (CH3) | 13.5 |
| 5' (CH3) | 12.8 |
| 2a (C) | 170.2 |
| 2b (CH3) | 21.8 |
| 3a (C) | 167.9 |
| 3b (C) | 130.8 |
| 3c (CH) | 136.1 |
| 3d (CH3) | 13.5 |
| 3ba (CH3) | 12.8 |
| 7a (CH3) | 52.1 |
