Spektraris NMR
Propinquanin F
Common Name: Propinquanin F
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H36O8/c1-10-14(2)28(30)36-27-21-17(12-19(31-5)25(27)34-8)11-15(3)16(4)23(29)18-13-20(32-6)24(33-7)26(35-9)22(18)21/h10,12-13,15-16,23,29H,11H2,1-9H3/b14-10-/t15-,16+,23+/m0/s1
InChIKey: InChIKey=MTTZZBYDFMAIFV-VNGWSARKSA-N
Formula: C28H36O8
Molecular Weight: 500.581712
Exact Mass: 500.241018
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Xu, L., Huang, F., Chen, S., Xiao, P. Chem Pharm Bull (2006) 54, 542-5
Species:
Notes: Family : Lignans, Type : Lignans, Group : Dibenzocyclooctadienes; 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) | 140.93 |
| 2 (C) | 119.46 |
| 3 (C) | 151.31 |
| 4 (C) | 140.36 |
| 5 (C) | 152.82 |
| 6 (CH) | 106.74 |
| 7 (CH) | 83.11 |
| 8 (CH) | 43.07 |
| 9 (CH3) | 20.3 |
| 1' (C) | 134.62 |
| 2' (C) | 123.41 |
| 3' (C) | 141.61 |
| 4' (C) | 138.98 |
| 5' (C) | 151.49 |
| 6' (CH) | 112.96 |
| 7' (CH2) | 38.93 |
| 8' (CH) | 35.32 |
| 9' (CH3) | 15.21 |
| 3a (CH3) | 60.73 |
| 4a (CH3) | 55.95 |
| 5a (CH3) | 56.01 |
| 3'a (C) | 167.24 |
| 3'b (C) | 127.26 |
| 3'c (CH) | 138.8 |
| 3'd (CH3) | 20.3 |
| 3'e (CH3) | 15.41 |
| 4'a (CH3) | 61.18 |
| 5'a (CH3) | 60.73 |
