Spektraris NMR
madhusalmone
Common Name: madhusalmone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C40H36O16/c1-43-26-9-19(10-27(44-2)35(26)47-5)21-16-51-24-14-30-38(40(50-8)33(24)34(21)42)55-18-53-31-15-25-32(39(49-7)37(31)54-17-52-30)22(41)13-23(56-25)20-11-28(45-3)36(48-6)29(12-20)46-4/h9-16H,17-18H2,1-8H3
InChIKey: InChIKey=UQQNIZLAQVEQMP-UHFFFAOYSA-N
Formula: C40H36O16
Molecular Weight: 772.705782
Exact Mass: 772.200335
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Siddiqui, B.S., Khan, S., Kardar, M.N., Aslam, H. Helv Chim Acta (2004) 87, 1194-201
Species:
Notes: Family : Flavonoids, Type : Isoflavonoids, Group : Isoflavones; 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) | 150.7 |
| 3 (C) | 124.5 |
| 4 (C) | 175.1 |
| 5 (C) | 142.2 |
| 6 (C) | 135.3 |
| 7 (C) | 152.7 |
| 8 (CH) | 93.2 |
| 9 (C) | 154.9 |
| 10 (C) | 114.9 |
| 1' (C) | 127 |
| 2' (CH) | 106.7 |
| 3' (C) | 153.3 |
| 4' (C) | 138.3 |
| 5' (C) | 153.3 |
| 6' (CH) | 106.7 |
| 2'' (C) | 150.7 |
| 3'' (CH) | 124.5 |
| 4'' (C) | 175.1 |
| 5'' (C) | 142.2 |
| 6'' (C) | 135.3 |
| 7'' (C) | 152.7 |
| 8'' (CH) | 93.2 |
| 9'' (C) | 154.9 |
| 10'' (C) | 114.9 |
| 1''' (C) | 127 |
| 2''' (CH) | 106.7 |
| 3''' (C) | 153.3 |
| 4''' (C) | 138.3 |
| 5''' (C) | 153.3 |
| 6''' (CH) | 106.7 |
| 5a (CH3) | 61.3 |
| 6a (CH2) | 102.2 |
| 7a (CH2) | 102.2 |
| 3'a (CH3) | 56.2 |
| 4'a (CH3) | 60.7 |
| 5'a (CH3) | 56.2 |
| 5''a (CH3) | 61.3 |
| 3'''a (CH3) | 56.2 |
| 4'''a (CH3) | 60.7 |
| 5'''a (CH3) | 56.2 |
