Spektraris NMR
Ochrocarpinone A
Common Name: Ochrocarpinone A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C33H42O6/c1-20(2)14-15-23-19-32(17-16-21(3)4)28-24(18-25(39-37)31(7,8)38-28)27(35)33(29(32)36,30(23,5)6)26(34)22-12-10-9-11-13-22/h9-14,16,23,25,37H,15,17-19H2,1-8H3
InChIKey: InChIKey=LCJOSIBQVUSWIH-UHFFFAOYSA-N
Formula: C33H42O6
Molecular Weight: 534.684226
Exact Mass: 534.298139
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Chaturvedula, V.S., Schilling, J.K., Kingston, D.G. J Nat Prod (2002) 65, 965-72
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) | 79.2 |
| 2 (C) | 188.2 |
| 3 (C) | 118.4 |
| 4 (C) | 175.6 |
| 5 (C) | 55.6 |
| 6 (C) | 207.2 |
| 1' (C) | 136.8 |
| 2' (CH) | 128.2 |
| 3' (CH) | 128 |
| 4' (CH) | 132.2 |
| 5' (CH) | 128 |
| 6' (CH) | 128.2 |
| 7' (C) | 193.8 |
| 1'' (CH2) | 39.8 |
| 2'' (CH) | 43.4 |
| 3'' (C) | 47.8 |
| 4'' (CH3) | 23.8 |
| 5'' (CH3) | 15.9 |
| 1''' (CH2) | 26.9 |
| 2''' (CH) | 93.6 |
| 3''' (C) | 71.8 |
| 4''' (CH3) | 27 |
| 5''' (CH3) | 23.7 |
| 1'''' (CH2) | 27.2 |
| 2'''' (CH) | 120.5 |
| 3'''' (C) | 134.9 |
| 4'''' (CH3) | 18.2 |
| 5'''' (CH3) | 26 |
| 1''''' (CH2) | 29.2 |
| 2''''' (CH) | 122.6 |
| 3''''' (C) | 133.7 |
| 4''''' (CH3) | 18 |
| 5''''' (CH3) | 26.1 |
