Spektraris NMR
(8R,8'R,9'S)-5-Methoxyclusin
Common Name: (8R,8'R,9'S)-5-Methoxyclusin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C23H28O8/c1-25-17-8-14(9-18(26-2)21(17)28-4)6-16-15(11-29-23(16)24)5-13-7-19(27-3)22-20(10-13)30-12-31-22/h7-10,15-16,23-24H,5-6,11-12H2,1-4H3/t15-,16+,23-/m0/s1
InChIKey: InChIKey=ADGULOHTKSMBCP-PXAQALGRSA-N
Formula: C23H28O8
Molecular Weight: 432.464506
Exact Mass: 432.178418
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) | 134.9 |
| 2 (CH) | 102.5 |
| 3 (C) | 149.2 |
| 4 (C) | 135.2 |
| 5 (C) | 143.8 |
| 6 (CH) | 108.8 |
| 7 (CH2) | 39.2 |
| 8 (CH) | 46.1 |
| 9 (CH2) | 72.3 |
| 1' (C) | 133.7 |
| 2' (CH) | 105.8 |
| 3' (C) | 153.1 |
| 4' (C) | 136.4 |
| 5' (C) | 153.1 |
| 6' (CH) | 105.8 |
| 7' (CH2) | 34.2 |
| 8' (CH) | 53 |
| 9' (CH) | 103.4 |
| 3a (CH2) | 101.3 |
| 5a (CH3) | 56.6 |
| 3'a (CH3) | 56.1 |
| 4'a (CH3) | 60.9 |
| 5'a (CH3) | 56.1 |
