Spektraris NMR
Patuloside A
Common Name: Patuloside A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C19H18O11/c20-5-11-15(25)16(26)17(27)19(30-11)28-6-3-9(22)12-10(4-6)29-18-7(13(12)23)1-2-8(21)14(18)24/h1-4,11,15-17,19-22,24-27H,5H2/t11-,15-,16+,17-,19-/m1/s1
InChIKey: InChIKey=HLMQPGCMKQOODS-BUBSOCQKSA-N
Formula: C19H18O11
Molecular Weight: 422.34037
Exact Mass: 422.084911
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) | 162.4 |
| 2 (CH) | 98.3 |
| 3 (C) | 163.6 |
| 4 (CH) | 94.5 |
| 4a (C) | 156.9 |
| 5 (C) | 132.6 |
| 6 (C) | 153.6 |
| 7 (CH) | 113.5 |
| 8 (CH) | 116.1 |
| 8a (C) | 112.2 |
| 9 (C) | 179.8 |
| 9a (C) | 102.9 |
| 10a (C) | 145.7 |
| 1' (CH) | 99.8 |
| 2' (CH) | 73 |
| 3' (CH) | 76.2 |
| 4' (CH) | 69.5 |
| 5' (CH) | 77 |
| 6' (CH2) | 60.6 |
