Spektraris NMR
Swietephragmin G
Common Name: Swietephragmin G
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C34H40O12/c1-8-17(2)24(37)43-25-28(4)16-31(38)29(5,19(28)13-21(35)40-7)32-11-10-27(3)20(14-22(36)42-23(27)18-9-12-41-15-18)34(32)26(33(25,31)39)44-30(6,45-32)46-34/h8-9,12,14-15,19,23,25-26,38-39H,10-11,13,16H2,1-7H3/b17-8+/t19-,23-,25-,26+,27+,28+,29+,30?,31+,32-,33-,34+/m0/s1
InChIKey: InChIKey=MPHOFXNCVDRQLR-QWFDEWGESA-N
Formula: C34H40O12
Molecular Weight: 640.67551
Exact Mass: 640.251977
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) | 75.7 |
| 3 (CH) | 86.7 |
| 4 (C) | 43.8 |
| 5 (CH) | 40.2 |
| 6 (CH2) | 33.8 |
| 7 (C) | 173.6 |
| 8 (C) | 84 |
| 9 (C) | 87.2 |
| 10 (C) | 47.3 |
| 11 (CH2) | 26.2 |
| 12 (CH2) | 29.2 |
| 13 (C) | 37.9 |
| 14 (C) | 152.7 |
| 15 (CH) | 122.5 |
| 16 (C) | 162.8 |
| 17 (CH) | 79.7 |
| 18 (CH3) | 20.1 |
| 19 (CH3) | 15.6 |
| 20 (C) | 119.4 |
| 21 (CH) | 141.9 |
| 22 (CH) | 110 |
| 23 (CH) | 143.1 |
| 28 (CH3) | 14.6 |
| 29 (CH2) | 38.7 |
| 30 (CH) | 78.1 |
| 1' (C) | 119.7 |
| 2' (CH3) | 16.6 |
| 3a (C) | 167.9 |
| 3b (C) | 129.9 |
| 3c (CH) | 139.8 |
| 3d (CH3) | 14.4 |
| 3ba (CH3) | 12.4 |
| 7a (CH3) | 52.2 |
