Spektraris NMR
(3S)-Isodiscoloranone A
Common Name: (3S)-Isodiscoloranone A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H18O7/c1-21(2)4-3-10-14(28-21)7-17-18(19(10)23)20(24)12(8-25-17)11-5-15-16(6-13(11)22)27-9-26-15/h3-7,12,22-23H,8-9H2,1-2H3/t12-/m1/s1
InChIKey: InChIKey=AOFUWUOPIXODTE-GFCCVEGCSA-N
Formula: C21H18O7
Molecular Weight: 382.364222
Exact Mass: 382.105253
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Chin, Y.W., Mdee, L.K., Mbwambo, Z.H., Mi, Q., Chai, H.B., Cragg, G.M., Swanson, S.M., Kinghorn, A.D. J Nat Prod (2006) 69, 1649-52
Species:
Notes: Family : Flavonoids, Type : Isoflavonoids, Group : Isoflavanones; 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 (CH2) | 69.8 |
| 3 (CH) | 45.1 |
| 4 (C) | 196.8 |
| 5 (C) | 159.5 |
| 6 (C) | 103.6 |
| 7 (C) | 163.7 |
| 8 (CH) | 96.7 |
| 9 (C) | 162.5 |
| 10 (C) | 101.5 |
| 1' (C) | 114.9 |
| 2' (C) | 150.7 |
| 3' (CH) | 100.7 |
| 4' (C) | 148.5 |
| 5' (C) | 142.5 |
| 6' (CH) | 106.8 |
| 2'' (C) | 79.2 |
| 3'' (CH) | 126.8 |
| 4'' (CH) | 115.4 |
| 5'' (CH3) | 28.9 |
| 6'' (CH3) | 28.9 |
| 4'a (CH2) | 101.7 |
