Spektraris NMR
Saggenon N
Common Name: Saggenon N
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H26O6/c1-14(2)5-4-9-25(3)10-8-17-20(31-25)7-6-16(24(17)29)21-13-19(28)23-18(27)11-15(26)12-22(23)30-21/h5-8,10-12,21,26-27,29H,4,9,13H2,1-3H3/t21-,25?/m0/s1
InChIKey: InChIKey=PCZZLTRWCMPYNK-BWDMCYIDSA-N
Formula: C25H26O6
Molecular Weight: 422.471287
Exact Mass: 422.172939
NMR Solvent: CD3COCD3
MHz:
Calibration:
NMR references: 13C - Y. Hano, M. Itoh, N. Koyama, T. Nomura Heterocycles (1984) 22, 1971
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) | 75.8 |
| 3 (CH2) | 42.4 |
| 4 (C) | 197.4 |
| 5 (C) | 165.3 |
| 6 (CH) | 96.9 |
| 7 (C) | 167.4 |
| 8 (CH) | 96 |
| 9 (C) | 164.5 |
| 10 (C) | 103.1 |
| 1' (C) | 119.1 |
| 2' (C) | 155.2 |
| 3' (C) | 111.1 |
| 4' (C) | 150.9 |
| 5' (CH) | 109.3 |
| 6' (CH) | 129.2 |
| 3'a (CH) | 117.8 |
| 3'b (CH) | 128 |
| 3'c (C) | 78.7 |
| 3'd (CH3) | 26.4 |
| 3'e (CH2) | 41.6 |
| 3'f (CH2) | 23.3 |
| 3'g (CH) | 125 |
| 3'h (C) | 131.9 |
| 3'i (CH3) | 17.6 |
| 3'j (CH3) | 25.8 |
