Spektraris NMR
Jacarelhyperols D
Common Name: Jacarelhyperols D
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C31H22O13/c1-31(2,40)30-28(41-17-6-4-12-21(36)19-15(34)7-10(32)8-18(19)42-26(12)24(17)39)13-9-16(35)20-22(37)11-3-5-14(33)23(38)25(11)43-29(20)27(13)44-30/h3-9,28,30,32-35,38-40H,1-2H3/t28-,30-/m0/s1
InChIKey: InChIKey=AMGPURXQRZELEO-JDXGNMNLSA-N
Formula: C31H22O13
Molecular Weight: 602.499773
Exact Mass: 602.106041
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Zhang, W.D., Fu, P., Liu, R.H., Li, T.Z., Li, H.L., Zhang, W., Chen, H.S. Fitoterapia (2007) 78, 74-5
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) | 157.2 |
| 2 (CH) | 98.2 |
| 3 (C) | 165.4 |
| 4 (CH) | 94.1 |
| 4a (C) | 157.2 |
| 5 (C) | 131.5 |
| 6 (C) | 149.5 |
| 7 (CH) | 113.4 |
| 8 (CH) | 116.7 |
| 8a (C) | 113.8 |
| 9 (C) | 179.3 |
| 9a (C) | 101.9 |
| 10a (C) | 145.6 |
| 1' (C) | 162.8 |
| 2' (CH) | 97.7 |
| 3' (C) | 162.8 |
| 4' (C) | 101.2 |
| 4'a (C) | 149.5 |
| 5' (C) | 132.7 |
| 6' (C) | 152 |
| 7' (CH) | 113.1 |
| 8' (CH) | 115.7 |
| 8'a (C) | 112.8 |
| 9' (C) | 179.8 |
| 9'a (C) | 103 |
| 10'a (C) | 145.9 |
| 2'' (CH) | 79.3 |
| 3'' (CH) | 70.9 |
| 4'' (C) | 70.2 |
| 5'' (CH3) | 24.9 |
| 6'' (CH3) | 27.6 |
