Spektraris NMR
Umbilicaxanthoside B
Common Name: Umbilicaxanthoside B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C36H46O16/c1-14(2)6-8-16-10-20(47-5)33-24(25(16)40)27(42)23-17(9-7-15(3)4)19(11-18(39)32(23)51-33)48-35-31(46)29(44)34(22(13-38)50-35)52-36-30(45)28(43)26(41)21(12-37)49-36/h6-7,10-11,21-22,26,28-31,34-41,43-46H,8-9,12-13H2,1-5H3/t21-,22-,26-,28+,29-,30-,31-,34-,35-,36+/m1/s1
InChIKey: InChIKey=YLEGIEQVRCJSJM-KTWKAPDWSA-N
Formula: C36H46O16
Molecular Weight: 734.742246
Exact Mass: 734.278585
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) | 151 |
| 2 (C) | 117.8 |
| 3 (CH) | 119.4 |
| 4 (C) | 143.2 |
| 4a (C) | 141.3 |
| 5 (C) | 147.1 |
| 6 (CH) | 103.7 |
| 7 (C) | 153.2 |
| 8 (C) | 118.4 |
| 8a (C) | 129.6 |
| 9 (C) | 183.1 |
| 9a (C) | 114.6 |
| 10a (C) | 135.7 |
| 1' (CH2) | 25.4 |
| 2' (CH) | 123.8 |
| 3' (C) | 130.9 |
| 4' (CH3) | 18.4 |
| 5' (CH3) | 26.2 |
| 1'' (CH3) | 56.3 |
| 1''' (CH) | 99.8 |
| 2''' (CH) | 74.2 |
| 3''' (CH) | 76.9 |
| 4''' (CH) | 78.2 |
| 5''' (CH) | 78.7 |
| 6''' (CH2) | 62.6 |
| 1'''' (CH) | 104.1 |
| 2'''' (CH) | 73.8 |
| 3'''' (CH) | 76.5 |
| 4'''' (CH) | 69.7 |
| 5'''' (CH) | 76.9 |
| 6'''' (CH2) | 62.6 |
| 1''''' (CH2) | 26.1 |
| 2''''' (CH) | 124.8 |
| 3''''' (C) | 132 |
| 4''''' (CH3) | 18 |
| 5''''' (CH3) | 25.9 |
