Spektraris NMR
Swietephragmin D
Common Name: Swietephragmin D
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C36H44O12/c1-9-19(4)26(39)45-27-30(6)17-32(40)31(7,21(30)14-23(37)42-8)33-12-11-29(5)22(15-24(38)44-25(29)20-10-13-43-16-20)35(33)28(34(27,32)41)46-36(47-33,48-35)18(2)3/h9-10,13,15-16,18,21,25,27-28,40-41H,11-12,14,17H2,1-8H3/b19-9+/t21-,25-,27-,28+,29+,30+,31+,32+,33-,34-,35+,36?/m0/s1
InChIKey: InChIKey=FWKDHGIXHPHDTH-IAYNSBMLSA-N
Formula: C36H44O12
Molecular Weight: 668.728745
Exact Mass: 668.283277
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) | 86.6 |
| 4 (C) | 43.7 |
| 5 (CH) | 40.1 |
| 6 (CH2) | 33.7 |
| 7 (C) | 173.9 |
| 8 (C) | 83.8 |
| 9 (C) | 86.7 |
| 10 (C) | 47.2 |
| 11 (CH2) | 25.7 |
| 12 (CH2) | 29 |
| 13 (C) | 37.7 |
| 14 (C) | 153 |
| 15 (CH) | 122.5 |
| 16 (C) | 163.2 |
| 17 (CH) | 79.7 |
| 18 (CH3) | 19.8 |
| 19 (CH3) | 15.4 |
| 20 (C) | 119.8 |
| 21 (CH) | 142 |
| 22 (CH) | 110.1 |
| 23 (CH) | 143.2 |
| 28 (CH3) | 14.4 |
| 29 (CH2) | 38.5 |
| 30 (CH) | 78 |
| 1' (C) | 122.8 |
| 2' (CH) | 28.9 |
| 3' (CH3) | 16.6 |
| 4' (CH3) | 16.6 |
| 3a (C) | 168.2 |
| 3b (C) | 130 |
| 3c (CH) | 139.9 |
| 3d (CH3) | 14.2 |
| 3ba (CH3) | 12.3 |
| 7a (CH3) | 52.1 |
