Spektraris NMR
Miconioside B
Common Name: Miconioside B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H34O14/c1-11-19(32)18-15(31)7-16(13-3-5-14(30)6-4-13)40-24(18)12(2)23(11)42-26-22(35)21(34)20(33)17(41-26)8-38-27-25(36)28(37,9-29)10-39-27/h3-6,16-17,20-22,25-27,29-30,32-37H,7-10H2,1-2H3/t16-,17+,20+,21-,22+,25-,26-,27+,28+/m0/s1
InChIKey: InChIKey=KABGCWRGCBCLOH-YFVJAWDISA-N
Formula: C28H34O14
Molecular Weight: 594.56226
Exact Mass: 594.194856
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Zhang, Z., ElSohly, H.N., Li, X.C., Khan, S.I., Broedel, S.E., Jr., Raulli, R.E., Cihlar, R.L., Walker, L.A. J Nat Prod (2003) 66, 39-41
Species:
Notes: Family : Flavonoids, Type : Flavonoids, Group : Flavanones; 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 |
|---|---|
| 2 (CH) | 80.3 |
| 3 (CH2) | 44.4 |
| 4 (C) | 199.8 |
| 5 (C) | 160 |
| 6 (C) | 113.1 |
| 7 (C) | 162.8 |
| 8 (C) | 112.2 |
| 9 (C) | 159.5 |
| 10 (C) | 106.6 |
| 1' (C) | 131.5 |
| 2' (CH) | 129.1 |
| 3' (CH) | 116.5 |
| 4' (C) | 159.1 |
| 5' (CH) | 116.5 |
| 6' (CH) | 129.1 |
| 1'' (CH) | 105.4 |
| 2'' (CH) | 75.9 |
| 3'' (CH) | 78.2 |
| 4'' (CH) | 71.9 |
| 5'' (CH) | 77.2 |
| 6'' (CH2) | 68.8 |
| 1''' (CH) | 111.1 |
| 2''' (CH) | 78.1 |
| 3''' (C) | 80.6 |
| 4''' (CH2) | 75.1 |
| 5''' (CH2) | 66.1 |
| 6a (CH3) | 9.2 |
| 8a (CH3) | 9.9 |
