Spektraris NMR
cis-4'',5''-Dihydro-4'',5''-dihydroxylonchocarpusone
Common Name: cis-4'',5''-Dihydro-4'',5''-dihydroxylonchocarpusone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C23H24O8/c1-23(2)22(26)20(25)18-14(31-23)7-6-11-19(24)13(10-30-21(11)18)12-8-16(28-4)17(29-5)9-15(12)27-3/h6-10,20,22,25-26H,1-5H3
InChIKey: InChIKey=QBCHNMCHXKBLQW-UHFFFAOYSA-N
Formula: C23H24O8
Molecular Weight: 428.432743
Exact Mass: 428.147118
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Fang, N., Casida, J.E. J Nat Prod (1999) 62, 205-10
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) | 156.4 |
| 3 (C) | 123.5 |
| 4 (C) | 178.2 |
| 5 (CH) | 127.6 |
| 6 (CH) | 117.7 |
| 7 (C) | 158.7 |
| 8 (C) | 112.5 |
| 9 (C) | 159.3 |
| 10 (C) | 119.1 |
| 1' (C) | 113.7 |
| 2' (C) | 154.1 |
| 3' (CH) | 99.9 |
| 4' (C) | 152 |
| 5' (C) | 144.5 |
| 6' (CH) | 118 |
| 1'' (CH) | 80.5 |
| 2'' (CH) | 66.6 |
| 3'' (C) | 75.4 |
| 4'' (CH3) | 25.2 |
| 5'' (CH3) | 23 |
| 2'a (CH3) | 57.7 |
| 4'a (CH3) | 57.2 |
| 5'a (CH3) | 56.9 |
