Spektraris NMR
(8R,8'R)-4-Hydroxycubebinone
Common Name: (8R,8'R)-4-Hydroxycubebinone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H24O8/c1-25-16-6-12(7-17(26-2)20(16)23)4-14-10-28-22(24)15(14)5-13-8-18(27-3)21-19(9-13)29-11-30-21/h6-9,14-15,23H,4-5,10-11H2,1-3H3/t14-,15+/m0/s1
InChIKey: InChIKey=LSSNBHGWOAHIQS-LSDHHAIUSA-N
Formula: C22H24O8
Molecular Weight: 416.422007
Exact Mass: 416.147118
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Usia, T., Watabe, T., Kadota, S., Tezuka, Y. J Nat Prod (2005) 68, 64-8
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) | 129 |
| 2 (CH) | 105.2 |
| 3 (C) | 147.1 |
| 4 (C) | 133.6 |
| 5 (C) | 147.1 |
| 6 (CH) | 105.2 |
| 7 (CH2) | 38.9 |
| 8 (CH) | 41.3 |
| 9 (CH2) | 71.3 |
| 1' (C) | 132.1 |
| 2' (CH) | 103.2 |
| 3' (C) | 149 |
| 4' (C) | 134.1 |
| 5' (C) | 143.6 |
| 6' (CH) | 108.7 |
| 7' (CH2) | 35 |
| 8' (CH) | 46.5 |
| 9' (C) | 178.4 |
| 3a (CH3) | 56.3 |
| 5a (CH3) | 56.3 |
| 4'a (CH2) | 101.4 |
| 5'a (CH3) | 56.7 |
