Spektraris NMR
Mananthoside F
Common Name: Mananthoside F
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H30O15/c1-38-19-6-14-15(5-17(19)33)23(16-7-39-26(35)22(16)21(14)13-2-3-18-20(4-13)43-12-42-18)44-28-25(30(37,9-32)11-41-28)45-27-24(34)29(36,8-31)10-40-27/h2-6,24-25,27-28,31-34,36-37H,7-12H2,1H3/t24-,25-,27-,28-,29-,30+/m0/s1
InChIKey: InChIKey=HYFKLBPOZMDIJB-GIHFEDOESA-N
Formula: C30H30O15
Molecular Weight: 630.551373
Exact Mass: 630.15847
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Tian, J.M., Hao, X.J., He, H.P. Helv Chim Acta (2006) 89, 291-8
Species:
Notes: Family : Lignans, Type : Lignans, Group : Cyclolignans; 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) | 129 |
| 2 (C) | 131.4 |
| 3 (CH) | 106.9 |
| 4 (C) | 150.9 |
| 5 (C) | 150.9 |
| 6 (CH) | 105.9 |
| 7 (C) | 145.7 |
| 8 (C) | 129.7 |
| 9 (CH2) | 68.8 |
| 1' (C) | 130.2 |
| 2' (CH) | 111.8 |
| 3' (C) | 148.9 |
| 4' (C) | 148.9 |
| 5' (CH) | 108.9 |
| 6' (CH) | 124.7 |
| 7' (C) | 137.1 |
| 8' (C) | 119.2 |
| 9' (C) | 172.2 |
| 1'' (CH) | 111.3 |
| 2'' (CH) | 85.3 |
| 3'' (C) | 81.1 |
| 4'' (CH2) | 75.9 |
| 5'' (CH2) | 65 |
| 1''' (CH) | 111.6 |
| 2''' (CH) | 78.2 |
| 3''' (C) | 80.5 |
| 4''' (CH2) | 75.3 |
| 5''' (CH2) | 65.2 |
| 4a (CH3) | 56 |
| 3'a (CH2) | 102.5 |
