Spektraris NMR
Umbilicaxanthoside A
Common Name: Umbilicaxanthoside A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H28O11/c1-10(2)4-5-11-6-15(33-3)24-17(18(11)28)19(29)13-7-12(8-14(27)23(13)36-24)34-25-22(32)21(31)20(30)16(9-26)35-25/h4,6-8,16,20-22,25-28,30-32H,5,9H2,1-3H3/t16-,20-,21+,22-,25-/m1/s1
InChIKey: InChIKey=FQFZNUKTSCMCQZ-RSLGMCBOSA-N
Formula: C25H28O11
Molecular Weight: 504.484193
Exact Mass: 504.163162
NMR Solvent:
MHz:
Calibration:
NMR references: 13C - Rezanka, T., Jachymova, J., Dembitsky, V.M. Phytochemistry (2003) 62, 607-12
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) | 150.9 |
| 2 (C) | 118.2 |
| 3 (CH) | 120.1 |
| 4 (C) | 142.6 |
| 4a (C) | 140.9 |
| 5 (C) | 146.4 |
| 6 (CH) | 104.8 |
| 7 (C) | 153 |
| 8 (CH) | 108.1 |
| 8a (C) | 128.9 |
| 9 (C) | 179.8 |
| 9a (C) | 116.1 |
| 10a (C) | 136.5 |
| 1' (CH2) | 22 |
| 2' (CH) | 123.5 |
| 3' (C) | 131.3 |
| 4' (CH3) | 17.9 |
| 5' (CH3) | 25.9 |
| 1'' (CH3) | 56.4 |
| 1''' (CH) | 99.8 |
| 2''' (CH) | 74.7 |
| 3''' (CH) | 77.2 |
| 4''' (CH) | 71.4 |
| 5''' (CH) | 78.6 |
| 6''' (CH2) | 62.6 |
