Spektraris NMR
Swietephragmin C
Common Name: Swietephragmin C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C37H46O12/c1-9-19(3)27(40)46-28-31(6)18-33(41)32(7,22(31)15-24(38)43-8)34-13-12-30(5)23(16-25(39)45-26(30)21-11-14-44-17-21)36(34)29(35(28,33)42)47-37(48-34,49-36)20(4)10-2/h9,11,14,16-17,20,22,26,28-29,41-42H,10,12-13,15,18H2,1-8H3/b19-9+/t20?,22-,26-,28-,29+,30+,31+,32+,33+,34-,35-,36+,37?/m0/s1
InChIKey: InChIKey=SPKRHHRYAOXOEE-UNPDPTDFSA-N
Formula: C37H46O12
Molecular Weight: 682.755362
Exact Mass: 682.298927
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) | 83.6 |
| 9 (C) | 86.6 |
| 10 (C) | 47.2 |
| 11 (CH2) | 25.7 |
| 12 (CH2) | 29 |
| 13 (C) | 37.7 |
| 14 (C) | 153.1 |
| 15 (CH) | 122.5 |
| 16 (C) | 163.2 |
| 17 (CH) | 79.7 |
| 18 (CH3) | 19.8 |
| 19 (CH3) | 15.5 |
| 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) | 77.9 |
| 1' (C) | 122.9 |
| 2' (CH) | 35.5 |
| 3' (CH2) | 23.6 |
| 4' (CH3) | 11.4 |
| 5' (CH3) | 13.1 |
| 3a (C) | 168.1 |
| 3b (C) | 130 |
| 3c (CH) | 139.9 |
| 3d (CH3) | 14.2 |
| 3ba (CH3) | 12.3 |
| 7a (CH3) | 52.1 |
