Spektraris NMR
Jacarelhyperols B
Common Name: Jacarelhyperols B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C36H28O12/c1-35(2)11-10-14-21(48-35)12-18(38)23-27(41)16-8-9-20(28(42)31(16)47-30(14)23)44-33-25-22(45-34(33)36(3,4)43)13-19(39)24-26(40)15-6-5-7-17(37)29(15)46-32(24)25/h5-13,33-34,37-39,42-43H,1-4H3/t33-,34-/m1/s1
InChIKey: InChIKey=PESVSEKBWYZQFT-KKLWWLSJSA-N
Formula: C36H28O12
Molecular Weight: 652.601693
Exact Mass: 652.158076
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) | 164.2 |
| 2 (CH) | 99.7 |
| 3 (C) | 161.3 |
| 4 (C) | 102 |
| 4a (C) | 152.5 |
| 5 (C) | 133 |
| 6 (C) | 151 |
| 7 (CH) | 114.5 |
| 8 (CH) | 118.1 |
| 8a (C) | 116.2 |
| 9 (C) | 181.1 |
| 9a (C) | 103.8 |
| 10a (C) | 147.1 |
| 1' (C) | 164.9 |
| 2' (CH) | 99.2 |
| 3' (C) | 157.1 |
| 4' (C) | 104.5 |
| 4'a (C) | 150.9 |
| 5' (C) | 147.1 |
| 6' (CH) | 121.4 |
| 7' (CH) | 125 |
| 8' (CH) | 116.2 |
| 8'a (C) | 122.2 |
| 9' (C) | 181.8 |
| 9'a (C) | 103.8 |
| 10'a (C) | 146.2 |
| 1'' (CH) | 115.3 |
| 2'' (CH) | 128.7 |
| 3'' (C) | 79.1 |
| 4'' (CH3) | 28.4 |
| 5'' (CH3) | 28.5 |
| 2''' (CH) | 72.3 |
| 3''' (CH) | 80.5 |
| 4''' (C) | 71.9 |
| 5''' (CH3) | 28.4 |
| 6''' (CH3) | 25.4 |
