Spektraris NMR
Scortechinone J
Common Name: Scortechinone J
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C34H42O7/c1-11-30(6,7)24-25(35)20(13-12-18(2)3)28-23(27(24)37)26(36)21-16-32(39-10)17-22-31(8,9)41-33(29(32)38,15-14-19(4)5)34(21,22)40-28/h11-12,14,16,22,35,37H,1,13,15,17H2,2-10H3/t22?,32-,33+,34-/m0/s1
InChIKey: InChIKey=CFXYMNKKRFZLOP-LLLNYQJISA-N
Formula: C34H42O7
Molecular Weight: 562.694367
Exact Mass: 562.293054
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Rukachaisirikul, V., Painuphong, P., Sukpondma, Y., Koysomboon, S., Sawangchote, P., Taylor, W.C. J Nat Prod (2003) 66, 933-8
Species:
Notes: Family : Aromatics, Type : Xanthones; 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) | 162.9 |
| 2 (C) | 111.6 |
| 3 (C) | 163.3 |
| 4 (C) | 108.2 |
| 4a (C) | 156.3 |
| 5 (C) | 84.2 |
| 6 (C) | 202 |
| 7 (C) | 84.8 |
| 8 (CH) | 134 |
| 8a (C) | 132.6 |
| 9 (C) | 179.1 |
| 9a (C) | 101 |
| 10a (C) | 88.7 |
| 1' (CH2) | 22.2 |
| 2' (CH) | 122.4 |
| 3' (C) | 132.3 |
| 4' (CH3) | 25.7 |
| 5' (CH3) | 18.1 |
| 1'' (CH2) | 30.2 |
| 2'' (CH) | 49.7 |
| 3'' (C) | 83.5 |
| 4'' (CH3) | 30.1 |
| 5'' (CH3) | 29 |
| 2a (C) | 41 |
| 2b (CH) | 149.5 |
| 2c (CH2) | 113.7 |
| 2d (CH3) | 27.2 |
| 2e (CH3) | 26.9 |
| 5a (CH2) | 28.8 |
| 5b (CH) | 117.5 |
| 5c (C) | 135.3 |
| 5d (CH3) | 25.5 |
| 5e (CH3) | 16.7 |
| 7a (CH3) | 54 |
