Spektraris NMR
(2S)-2'-Methoxykurarinon
Common Name: (2S)-2'-Methoxykurarinon
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C27H32O6/c1-15(2)7-8-17(16(3)4)11-20-21(29)13-25(32-6)26-22(30)14-24(33-27(20)26)19-10-9-18(28)12-23(19)31-5/h7,9-10,12-13,17,24,28-29H,3,8,11,14H2,1-2,4-6H3/t17?,24-/m0/s1
InChIKey: InChIKey=KTAQQSUPNZAWEY-UCSBTNPJSA-N
Formula: C27H32O6
Molecular Weight: 452.540403
Exact Mass: 452.219889
NMR Solvent: CD3COCD3
MHz:
Calibration:
NMR references: 13C - Kang, T.H., Jeong, S.J., Ko, W.G., Kim, N.Y., Lee, B.H., Inagaki, M., Miyamoto, T., Higuchi, R., Kim, Y.C. J Nat Prod (2000) 63, 680-1
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) | 74.7 |
| 3 (CH2) | 45.6 |
| 4 (C) | 189.5 |
| 5 (C) | 161.2 |
| 6 (CH) | 93.5 |
| 7 (C) | 162.6 |
| 8 (C) | 108.5 |
| 9 (C) | 163.8 |
| 10 (C) | 106.1 |
| 1' (C) | 119.7 |
| 2' (C) | 158.4 |
| 3' (CH) | 99.6 |
| 4' (C) | 159.6 |
| 5' (CH) | 107.8 |
| 6' (CH) | 128.1 |
| 1'' (CH2) | 28 |
| 2'' (CH) | 47.7 |
| 3'' (CH2) | 31.9 |
| 4'' (CH) | 124.5 |
| 5'' (C) | 131.5 |
| 6'' (CH3) | 17.8 |
| 7'' (CH3) | 25.8 |
| 8'' (C) | 149.2 |
| 9'' (CH2) | 111.1 |
| 10'' (CH3) | 19.1 |
| 5a (CH3) | 55.7 |
| 2'a (CH3) | 55.7 |
