Spektraris NMR
Conicaside
Common Name: Conicaside
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C27H36O12/c1-34-18-7-13(4-5-17(18)30)6-15-12-37-25(16(15)10-28)14-8-19(35-2)26(20(9-14)36-3)39-27-24(33)23(32)22(31)21(11-29)38-27/h4-5,7-9,15-16,21-25,27-33H,6,10-12H2,1-3H3/t15-,16-,21+,22+,23-,24+,25+,27-/m0/s1
InChIKey: InChIKey=QZZFPPFAVZPABT-GYQBSHBDSA-N
Formula: C27H36O12
Molecular Weight: 552.568595
Exact Mass: 552.220677
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Fan, C.Q., Zhu, X.Z., Zhan, Z.J., Ji, X.Q., Li, H., Yue, J.M. Planta Med (2006) 72, 590-5
Species:
Notes: Family : Lignans, Type : Lignans, Group : 7-9-Monoepoxylignans; 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) | 132.64 |
| 2 (CH) | 113.27 |
| 3 (C) | 148.84 |
| 4 (C) | 146.67 |
| 5 (CH) | 116.74 |
| 6 (CH) | 121.86 |
| 7 (CH2) | 33.47 |
| 8 (CH) | 43.37 |
| 9 (CH2) | 73.51 |
| 1' (C) | 141.32 |
| 2' (CH) | 104.75 |
| 3' (C) | 153.9 |
| 4' (C) | 135.34 |
| 5' (C) | 153.9 |
| 6' (CH) | 104.75 |
| 7' (CH) | 83.56 |
| 8' (CH) | 53.67 |
| 9' (CH2) | 60.33 |
| 1'' (CH) | 105.34 |
| 2'' (CH) | 76.21 |
| 3'' (CH) | 78.77 |
| 4'' (CH) | 71.72 |
| 5'' (CH) | 78.48 |
| 6'' (CH2) | 62.72 |
| 3a (CH3) | 56.03 |
| 3'a (CH3) | 56.72 |
| 5'a (CH3) | 56.72 |
