Spektraris NMR
Formosanatin C
Common Name: Formosanatin C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H30O7/c1-14(2)7-8-16-25-15(9-11-29(3,4)36-25)22(32)21-23(33)20-18-13-19(31)26-17(10-12-30(5,6)37-26)24(18)34-28(20)35-27(16)21/h7,10,12-13,31-32H,8-9,11H2,1-6H3
InChIKey: InChIKey=IXYLLIPWMHYUJE-UHFFFAOYSA-N
Formula: C30H30O7
Molecular Weight: 502.556134
Exact Mass: 502.199153
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) | 164.9 |
| 3 (C) | 97.5 |
| 4 (C) | 179.3 |
| 5 (C) | 157.8 |
| 6 (C) | 106.1 |
| 7 (C) | 157.1 |
| 8 (C) | 107.9 |
| 9 (C) | 150 |
| 10 (C) | 102.8 |
| 1' (C) | 115.3 |
| 2' (C) | 138.7 |
| 3' (C) | 106.5 |
| 4' (C) | 137.2 |
| 5' (C) | 143 |
| 6' (CH) | 106.3 |
| 2'' (C) | 76 |
| 3'' (CH2) | 31.5 |
| 4'' (CH2) | 16.2 |
| 5'' (CH3) | 26.8 |
| 6'' (CH3) | 26.8 |
| 1''' (CH2) | 21.6 |
| 2''' (CH) | 121.9 |
| 3''' (C) | 131.9 |
| 4''' (CH3) | 17.9 |
| 5''' (CH3) | 25.7 |
| 2'''' (C) | 77.7 |
| 3'''' (CH) | 131.7 |
| 4'''' (CH) | 115.1 |
| 5'''' (CH3) | 27.1 |
| 6'''' (CH3) | 27.1 |
