Spektraris NMR
Phyllanthuspermin C
Common Name: Phyllanthuspermin C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H24O11/c1-31-17-6-12-13(7-18(17)32-2)24(37-26-23(29)22(28)15(27)9-34-26)14-8-33-25(30)21(14)20(12)11-3-4-16-19(5-11)36-10-35-16/h3-7,15,22-23,26-29H,8-10H2,1-2H3/t15-,22-,23+,26-/m0/s1
InChIKey: InChIKey=AVYGDWFATMFGNJ-CTLTWMMTSA-N
Formula: C26H24O11
Molecular Weight: 512.463166
Exact Mass: 512.131862
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Wu, S.J., Wu, T.S. Chem Pharm Bull (2006) 54, 1223-5
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) | 128.8 |
| 2 (C) | 131.9 |
| 3 (CH) | 107.1 |
| 4 (C) | 151.8 |
| 5 (C) | 153.4 |
| 6 (CH) | 102.9 |
| 7 (C) | 146.3 |
| 8 (C) | 120 |
| 9 (CH2) | 69.2 |
| 1' (C) | 130.1 |
| 2' (CH) | 111.7 |
| 3' (C) | 149 |
| 4' (C) | 149 |
| 5' (CH) | 109 |
| 6' (CH) | 124.7 |
| 7' (C) | 137.4 |
| 8' (C) | 131.7 |
| 9' (C) | 172.2 |
| 1'' (CH) | 107 |
| 2'' (CH) | 72.8 |
| 3'' (CH) | 74.4 |
| 4'' (CH) | 69.7 |
| 5'' (CH2) | 67.6 |
| 4a (CH3) | 56.8 |
| 5a (CH3) | 56 |
| 3'a (CH2) | 102.6 |
