Spektraris NMR
Patuloside B
Common Name: Patuloside B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H28O15/c1-7-15(29)19(33)21(35)24(36-7)40-23-20(34)18(32)13(6-26)39-25(23)37-8-4-11(28)14-12(5-8)38-22-9(16(14)30)2-3-10(27)17(22)31/h2-5,7,13,15,18-21,23-29,31-35H,6H2,1H3/t7-,13+,15-,18+,19+,20-,21+,23+,24-,25+/m0/s1
InChIKey: InChIKey=RNQYOSSVXKYFDR-RLHLSZHWSA-N
Formula: C25H28O15
Molecular Weight: 568.481812
Exact Mass: 568.14282
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Ishiguro, K., Yamamoto, R., Oku, H. J Nat Prod (1999) 62, 906-8
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) | 162.5 |
| 2 (CH) | 98.1 |
| 3 (C) | 163.3 |
| 4 (CH) | 94.3 |
| 4a (C) | 157 |
| 5 (C) | 132.6 |
| 6 (C) | 152.6 |
| 7 (CH) | 113.3 |
| 8 (CH) | 116 |
| 8a (C) | 112.9 |
| 9 (C) | 179.9 |
| 9a (C) | 103 |
| 10a (C) | 146.2 |
| 1' (CH) | 97.6 |
| 2' (CH) | 76.2 |
| 3' (CH) | 76.9 |
| 4' (CH) | 69.6 |
| 5' (CH) | 77.1 |
| 6' (CH2) | 60.5 |
| 1'' (CH) | 100.4 |
| 2'' (CH) | 70.4 |
| 3'' (CH) | 70.5 |
| 4'' (CH) | 71.8 |
| 5'' (CH) | 68.3 |
| 6'' (CH3) | 18 |
