Spektraris NMR
Phomoxanthone A
Common Name: Phomoxanthone A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C38H38O16/c1-15-11-25(45)29-31(47)27-23(43)9-7-21(33(27)53-37(29,13-49-17(3)39)35(15)51-19(5)41)22-8-10-24(44)28-32(48)30-26(46)12-16(2)36(52-20(6)42)38(30,54-34(22)28)14-50-18(4)40/h7-10,15-16,35-36,43-46H,11-14H2,1-6H3/t15-,16-,35-,36-,37+,38+/m1/s1
InChIKey: InChIKey=OHHXJWHRQGZQJM-ACMZUNAXSA-N
Formula: C38H38O16
Molecular Weight: 750.700192
Exact Mass: 750.215985
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Isaka, M., Jaturapat, A., Rukseree, K., Danwisetkanjana, K., Tanticharoen, M., Thebtaranonth, Y. J Nat Prod (2001) 64, 1015-8
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) | 161.6 |
| 2 (CH) | 109.5 |
| 3 (CH) | 141.1 |
| 4 (C) | 115.3 |
| 4a (C) | 153.8 |
| 5 (CH) | 70.3 |
| 6 (CH) | 27.5 |
| 7 (CH2) | 33.2 |
| 8 (C) | 177.6 |
| 8a (C) | 100.1 |
| 9 (C) | 187.7 |
| 9a (C) | 106.2 |
| 10a (C) | 80.3 |
| 1' (C) | 161.6 |
| 2' (CH) | 109.5 |
| 3' (CH) | 141.1 |
| 4' (C) | 115.3 |
| 4'a (C) | 153.8 |
| 5' (CH) | 70.3 |
| 6' (CH) | 27.5 |
| 7' (CH2) | 33.2 |
| 8' (C) | 177.6 |
| 8'a (C) | 100.1 |
| 9' (C) | 187.7 |
| 9'a (C) | 106.2 |
| 10'a (C) | 80.3 |
| 1'' (CH2) | 64.5 |
| 2'' (C) | 170 |
| 3'' (CH3) | 20.4 |
| 1''' (C) | 169.6 |
| 2''' (CH3) | 20.6 |
| 1'''' (CH3) | 17.5 |
| 1''''' (CH2) | 64.5 |
| 2''''' (C) | 170 |
| 3''''' (CH3) | 20.4 |
| 1'''''' (C) | 169.6 |
| 2'''''' (CH3) | 20.6 |
| 1''''''' (CH3) | 17.5 |
