Spektraris NMR
7-Epiclusianone
Common Name: 7-Epiclusianone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C33H42O4/c1-21(2)14-15-25-20-32(18-16-22(3)4)28(35)26(27(34)24-12-10-9-11-13-24)29(36)33(30(32)37,31(25,7)8)19-17-23(5)6/h9-14,16-17,25,36H,15,18-20H2,1-8H3/t25-,32-,33+/m0/s1
InChIKey: InChIKey=LTDDHUQIMJCFPX-DZMJNENTSA-N
Formula: C33H42O4
Molecular Weight: 502.685416
Exact Mass: 502.30831
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Tanaka, N., Takaishi, Y., Shikishima, Y., Nakanishi, Y., Bastow, K., Lee, K.H., Honda, G., Ito, M., Takeda, Y., Kodzhimatov, O.K., Ashurmetov, O. J Nat Prod (2004) 67, 1870-5
Species:
Notes: Family : Aromatics, Type : Benzophenones; 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) | 116.5 |
| 2 (C) | 197.8 |
| 3 (C) | 66.1 |
| 4 (C) | 207.9 |
| 5 (C) | 63.4 |
| 6 (C) | 193.2 |
| 1' (C) | 137.3 |
| 2' (CH) | 129.5 |
| 3' (CH) | 127.9 |
| 4' (CH) | 132.5 |
| 5' (CH) | 127.9 |
| 6' (CH) | 129.5 |
| 7' (C) | 196.8 |
| 1'' (C) | 48.9 |
| 2'' (CH) | 46.9 |
| 3'' (CH2) | 40.6 |
| 4'' (CH3) | 23 |
| 5'' (CH3) | 27 |
| 1''' (CH2) | 27.2 |
| 2''' (CH) | 119.4 |
| 3''' (C) | 135 |
| 4''' (CH3) | 18.1 |
| 5''' (CH3) | 26.1 |
| 1'''' (CH2) | 31.9 |
| 2'''' (CH) | 120.6 |
| 3'''' (C) | 134.8 |
| 4'''' (CH3) | 18.3 |
| 5'''' (CH3) | 26.3 |
| 1''''' (CH2) | 29.2 |
| 2''''' (CH) | 124.2 |
| 3''''' (C) | 132.7 |
| 4''''' (CH3) | 17.8 |
| 5''''' (CH3) | 25.8 |
