Spektraris NMR
Common Name:
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H40O15/c1-40-20-8-15(25-18(10-32)17(9-31)24(44-25)14-2-5-16(35)6-3-14)4-7-19(20)42-28-26(23(37)22(36)21(11-33)43-28)45-29-27(38)30(39,12-34)13-41-29/h2-8,17-18,21-29,31-39H,9-13H2,1H3/t17-,18-,21-,22-,23+,24?,25+,26-,27+,28-,29+,30-/m1/s1
InChIKey: InChIKey=FVVWMKPJNDIUGC-JAHNEDGDSA-N
Formula: C30H40O15
Molecular Weight: 640.630781
Exact Mass: 640.236721
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Calis, I., Gazar, H.A., Piacente, S., Pizza, C. J Nat Prod (2001) 64, 1179-82
Species:
Notes: Family : Lignans, Type : Lignans, Group : 7-7-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) | 134.8 |
| 2 (CH) | 111.2 |
| 3 (C) | 149.1 |
| 4 (C) | 147.6 |
| 5 (CH) | 116 |
| 6 (CH) | 120.5 |
| 7 (CH) | 84.5 |
| 8 (CH) | 55.4 |
| 9 (CH2) | 61.8 |
| 1' (C) | 138.2 |
| 2' (CH) | 111.7 |
| 3' (CH) | 150.9 |
| 4' (C) | 147.9 |
| 5' (CH) | 117.1 |
| 6' (CH) | 119.9 |
| 7' (CH) | 84.1 |
| 8' (CH) | 55.4 |
| 9' (CH2) | 61.8 |
| 1'' (CH) | 101 |
| 2'' (CH) | 77.9 |
| 3'' (CH) | 78.8 |
| 4'' (CH) | 71.4 |
| 5'' (CH) | 78 |
| 6'' (CH2) | 62.5 |
| 1''' (CH) | 110.2 |
| 2''' (CH) | 77.5 |
| 3''' (C) | 80.8 |
| 4''' (CH2) | 75.5 |
| 5''' (CH2) | 66.2 |
| 3a (CH3) | 56.3 |
