Spektraris NMR
Actaealactone
Common Name: Actaealactone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C18H14O8/c19-12-3-1-9(6-14(12)21)5-11-17(24)26-8-18(11,25)16(23)10-2-4-13(20)15(22)7-10/h1-7,19-22,25H,8H2/b11-5-
InChIKey: InChIKey=DTECHVPDGIFJTE-WZUFQYTHSA-N
Formula: C18H14O8
Molecular Weight: 358.299656
Exact Mass: 358.068867
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Nuntanakorn, P., Jiang, B., Einbond, L.S., Yang, H., Kronenberg, F., Weinstein, I.B., Kennelly, E.J. J Nat Prod (2006) 69, 314-8
Species:
Notes: Family : Lignans, Type : Lignans, Group : Dibenzylbutyrolactones; 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) | 124.9 |
| 2 (CH) | 118.1 |
| 3 (C) | 144.8 |
| 4 (C) | 149 |
| 5 (CH) | 114.7 |
| 6 (CH) | 125.3 |
| 7 (CH) | 144.4 |
| 8 (C) | 123.8 |
| 9 (C) | 172.2 |
| 1' (C) | 124.9 |
| 2' (CH) | 115.9 |
| 3' (C) | 144.5 |
| 4' (C) | 151.5 |
| 5' (CH) | 114.2 |
| 6' (CH) | 122.7 |
| 7' (C) | 195.8 |
| 8' (C) | 80.3 |
| 9' (CH2) | 77.7 |
