Spektraris NMR
Scortechinone A
Common Name: Scortechinone A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C34H42O7/c1-17(2)11-12-20-25(35)23-26(36)21-15-32(38-10)16-22-31(8,9)41-33(29(32)37,14-13-18(3)4)34(21,22)40-28(23)24-27(20)39-19(5)30(24,6)7/h11,13,15,19,22,35H,12,14,16H2,1-10H3/t19-,22?,32+,33-,34+/m1/s1
InChIKey: InChIKey=JXVGZQWFGMBBFV-RSVNGLFCSA-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) | 163.3 |
| 2 (C) | 105.8 |
| 3 (C) | 166.9 |
| 4 (C) | 113 |
| 4a (C) | 153.8 |
| 5 (C) | 84.2 |
| 6 (C) | 202.3 |
| 7 (C) | 84.9 |
| 8 (CH) | 134 |
| 8a (C) | 132.4 |
| 9 (C) | 178.2 |
| 9a (C) | 101.4 |
| 10a (C) | 89.3 |
| 1' (C) | 43.5 |
| 2' (CH) | 90.6 |
| 3' (CH3) | 24.1 |
| 4' (CH3) | 21.1 |
| 5' (CH3) | 13.6 |
| 1'' (CH2) | 30.9 |
| 2'' (CH) | 49.9 |
| 3'' (C) | 83.2 |
| 4'' (CH3) | 30.8 |
| 5'' (CH3) | 29 |
| 2a (CH2) | 21.4 |
| 2b (CH) | 121.8 |
| 2c (C) | 132 |
| 2d (CH3) | 25.7 |
| 2ca (CH3) | 17.7 |
| 5a (CH2) | 28.9 |
| 5b (CH) | 117.2 |
| 5c (C) | 135.6 |
| 5d (CH3) | 25.5 |
| 5e (CH3) | 16.9 |
| 7a (CH3) | 54.9 |
