Spektraris NMR
Monacanthin B
Common Name: Monacanthin B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C34H28O21/c35-15-2-1-11(3-16(15)36)30(47)51-10-23-27(46)28(53-31(48)12-4-17(37)24(43)18(38)5-12)29(54-32(49)13-6-19(39)25(44)20(40)7-13)34(52-23)55-33(50)14-8-21(41)26(45)22(42)9-14/h1-9,23,27-29,34-46H,10H2/t23-,27-,28+,29-,34+/m1/s1
InChIKey: InChIKey=DFTLIWJLVLLBPY-SZSSXCKGSA-N
Formula: C34H28O21
Molecular Weight: 772.574865
Exact Mass: 772.112308
NMR Solvent: CD3COCD3
MHz:
Calibration:
NMR references: 13C - Kandil, F.E., Grace, M.H. Phytochemistry (2001) 58, 611-3
Species:
Notes: Family : Tannins, Type : Gallates; 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) | 93.4 |
| 2 (CH) | 72.1 |
| 3 (CH) | 76.1 |
| 4 (CH) | 69.5 |
| 5 (CH) | 76.2 |
| 6 (CH2) | 63.8 |
| 1' (C) | 165 |
| 2' (C) | 121 |
| 3' (CH) | 110.1 |
| 4' (C) | 146 |
| 5' (C) | 139.4 |
| 6' (C) | 146 |
| 7' (CH) | 110.1 |
| 1'' (C) | 165 |
| 2'' (C) | 121 |
| 3'' (CH) | 110.1 |
| 4'' (C) | 146 |
| 5'' (C) | 139.4 |
| 6'' (C) | 146 |
| 7'' (CH) | 110.1 |
| 1''' (C) | 165 |
| 2''' (C) | 121 |
| 3''' (CH) | 110.1 |
| 4''' (C) | 146 |
| 5''' (C) | 139.4 |
| 6''' (C) | 146 |
| 7''' (CH) | 110.1 |
| 1''''' (C) | 166 |
| 2''''' (C) | 121 |
| 3''''' (CH) | 110.1 |
| 4''''' (C) | 146 |
| 5''''' (C) | 151.5 |
| 6''''' (CH) | 114.8 |
| 7''''' (CH) | 117.8 |
