Spektraris NMR
Tricornoside D
Common Name: Tricornoside D
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H28O13/c1-9-17(27)20(30)22(32)24(35-9)34-8-15-19(29)21(31)23(33)25(38-15)36-10-6-12(26)16-14(7-10)37-13-5-3-2-4-11(13)18(16)28/h2-7,9,15,17,19-27,29-33H,8H2,1H3/t9-,15+,17-,19+,20+,21-,22+,23+,24+,25+/m0/s1
InChIKey: InChIKey=KIQDAEGSBGMMPE-ILUNYVIJSA-N
Formula: C25H28O13
Molecular Weight: 536.483003
Exact Mass: 536.152991
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 (C) | 164.3 |
| 2 (CH) | 100.3 |
| 3 (C) | 165.9 |
| 4 (CH) | 96.2 |
| 4a (C) | 158.9 |
| 5 (CH) | 119.2 |
| 6 (CH) | 136.7 |
| 7 (CH) | 125.4 |
| 8 (CH) | 126.4 |
| 8a (C) | 121.5 |
| 9 (C) | 182.2 |
| 9a (C) | 105.6 |
| 10a (C) | 157.5 |
| 1' (CH) | 102.2 |
| 2' (CH) | 74.7 |
| 3' (CH) | 77.9 |
| 4' (CH) | 71.5 |
| 5' (CH) | 77.3 |
| 6' (CH2) | 67.7 |
| 1'' (CH) | 101.7 |
| 2'' (CH) | 72.1 |
| 3'' (CH) | 72.4 |
| 4'' (CH) | 74.2 |
| 5'' (CH) | 69.8 |
| 6'' (CH3) | 17.9 |
