Spektraris NMR
Miconioside A
Common Name: Miconioside A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C29H36O14/c1-11-20(32)19-15(30)8-17(13-4-6-14(38-3)7-5-13)41-27(19)12(2)26(11)43-29-25(37)23(35)22(34)18(42-29)10-40-28-24(36)21(33)16(31)9-39-28/h4-7,16-18,21-25,28-29,31-37H,8-10H2,1-3H3/t16-,17-,18+,21-,22+,23-,24+,25+,28-,29-/m0/s1
InChIKey: InChIKey=CUEAVYXDEUPPTP-LNRHCFMRSA-N
Formula: C29H36O14
Molecular Weight: 608.588877
Exact Mass: 608.210506
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) | 80.2 |
| 3 (CH2) | 44.4 |
| 4 (C) | 199.9 |
| 5 (C) | 159.9 |
| 6 (C) | 113.2 |
| 7 (C) | 162.8 |
| 8 (C) | 112.1 |
| 9 (C) | 159.4 |
| 10 (C) | 106.6 |
| 1' (C) | 132.6 |
| 2' (CH) | 129 |
| 3' (CH) | 115.2 |
| 4' (C) | 161.5 |
| 5' (CH) | 115.2 |
| 6' (CH) | 129 |
| 1'' (CH) | 105.1 |
| 2'' (CH) | 75.8 |
| 3'' (CH) | 78.3 |
| 4'' (CH) | 71.8 |
| 5'' (CH) | 77.9 |
| 6'' (CH2) | 69.3 |
| 1''' (CH) | 104.7 |
| 2''' (CH) | 72.4 |
| 3''' (CH) | 74.2 |
| 4''' (CH) | 69.6 |
| 5''' (CH2) | 66.8 |
| 6a (CH3) | 9.3 |
| 8a (CH3) | 10 |
| 4'a (CH3) | 55.9 |
