Spektraris NMR
Jacarelhyperols A
Common Name: Jacarelhyperols A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C36H28O13/c1-35(2)10-9-13-20(49-35)11-17(38)22-25(40)15-6-8-19(28(43)31(15)47-29(13)22)45-33-24-21(46-34(33)36(3,4)44)12-18(39)23-26(41)14-5-7-16(37)27(42)30(14)48-32(23)24/h5-12,33-34,37-39,42-44H,1-4H3/t33-,34-/m1/s1
InChIKey: InChIKey=TVTKQGIMDPXDNX-KKLWWLSJSA-N
Formula: C36H28O13
Molecular Weight: 668.601097
Exact Mass: 668.152991
NMR Solvent: CD3COCD3
MHz:
Calibration:
NMR references: 13C - Ishiguro, K., Nagata, S., Oku, H., Yamaki, M. Planta Med (2002) 68, 258-61
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) | 164.7 |
| 2 (CH) | 99.4 |
| 3 (C) | 161.8 |
| 4 (C) | 104.4 |
| 4a (C) | 153 |
| 5 (C) | 133.5 |
| 6 (C) | 151.5 |
| 7 (CH) | 115 |
| 8 (CH) | 118.6 |
| 8a (C) | 115.6 |
| 9 (C) | 181.6 |
| 9a (C) | 103.8 |
| 10a (C) | 147.6 |
| 1' (C) | 165.5 |
| 2' (CH) | 99.4 |
| 3' (C) | 157.5 |
| 4' (C) | 104.7 |
| 4'a (C) | 150.9 |
| 5' (C) | 134.2 |
| 6' (C) | 153 |
| 7' (CH) | 114.2 |
| 8' (CH) | 117.8 |
| 8'a (C) | 115.3 |
| 9' (C) | 182 |
| 9'a (C) | 102.5 |
| 10'a (C) | 147.6 |
| 1'' (CH) | 115.8 |
| 2'' (CH) | 129.1 |
| 3'' (C) | 79.6 |
| 4'' (CH3) | 28.9 |
| 5'' (CH3) | 29 |
| 2''' (CH) | 72.8 |
| 3''' (CH) | 81.1 |
| 4''' (C) | 72.4 |
| 5''' (CH3) | 28.8 |
| 6''' (CH3) | 26.1 |
