Spektraris NMR
Formosanatin B
Common Name: Formosanatin B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H32O9/c1-12(2)7-9-14-21(32)15(10-8-13(3)4)25-19(22(14)33)23(34)18-16-11-17(31)27-20(26(16)38-29(18)37-25)24(35)28(36)30(5,6)39-27/h7-8,11,24,28,31-33,35-36H,9-10H2,1-6H3/t24-,28+/m0/s1
InChIKey: InChIKey=PMRKLKITLXQFHQ-RBJSKKJNSA-N
Formula: C30H32O9
Molecular Weight: 536.570825
Exact Mass: 536.204633
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Lo, W.L., Chang, F.R., Hsieh, T.J., Wu, Y.C. Phytochemistry (2002) 60, 839-45
Species:
Notes: Family : Flavonoids, Type : Isoflavonoids, Group : Isoflavonols; 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 (C) | 164.7 |
| 3 (C) | 97.4 |
| 4 (C) | 179.3 |
| 5 (C) | 159.9 |
| 6 (C) | 111.2 |
| 7 (C) | 158.7 |
| 8 (C) | 106.6 |
| 9 (C) | 150.3 |
| 10 (C) | 103.7 |
| 1' (C) | 114.7 |
| 2' (C) | 141.1 |
| 3' (C) | 109.3 |
| 4' (C) | 135.7 |
| 5' (C) | 143.6 |
| 6' (CH) | 105.8 |
| 1'' (CH2) | 21.8 |
| 2'' (CH) | 121.2 |
| 3'' (C) | 135 |
| 4'' (CH3) | 25.8 |
| 5'' (CH3) | 17.7 |
| 1''' (CH2) | 21.5 |
| 2''' (CH) | 121.3 |
| 3''' (C) | 133 |
| 4''' (CH3) | 18.9 |
| 5''' (CH3) | 25.6 |
| 2'''' (C) | 79.9 |
| 3'''' (CH) | 75.6 |
| 4'''' (CH) | 67.2 |
| 5'''' (CH3) | 25.7 |
| 6'''' (CH3) | 18.9 |
