Spektraris NMR
Tricornoside B
Common Name: Tricornoside B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C27H32O14/c1-10-16(28)19(31)21(33)26(38-10)37-9-15-18(30)20(32)22(34)27(41-15)40-14-8-12-17(29)11-6-4-5-7-13(11)39-23(12)25(36-3)24(14)35-2/h4-8,10,15-16,18-22,26-28,30-34H,9H2,1-3H3/t10-,15+,16-,18+,19+,20-,21+,22+,26+,27+/m0/s1
InChIKey: InChIKey=GECFJWYRKNFCKK-LGPYANSZSA-N
Formula: C27H32O14
Molecular Weight: 580.535642
Exact Mass: 580.179206
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Li, J., Jiang, Y., Tu, P.F. J Nat Prod (2005) 68, 1802-4
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 (CH) | 101.5 |
| 2 (C) | 158.2 |
| 3 (C) | 141.2 |
| 4 (C) | 154.7 |
| 4a (C) | 156.9 |
| 5 (CH) | 119.2 |
| 6 (CH) | 135.9 |
| 7 (CH) | 125.2 |
| 8 (CH) | 127 |
| 8a (C) | 123.1 |
| 9 (C) | 177.4 |
| 9a (C) | 112.5 |
| 10a (C) | 155.7 |
| 1' (CH) | 102.1 |
| 2' (CH) | 74.8 |
| 3' (CH) | 78.2 |
| 4' (CH) | 71.4 |
| 5' (CH) | 77.4 |
| 6' (CH2) | 67.7 |
| 1'' (CH) | 102.2 |
| 2'' (CH) | 72.1 |
| 3'' (CH) | 72.5 |
| 4'' (CH) | 74.1 |
| 5'' (CH) | 69.9 |
| 6'' (CH3) | 17.9 |
| 1''' (CH3) | 62.3 |
| 3a (CH3) | 62.6 |
