Spektraris NMR
19,20-Dehydroedulisone
Common Name: 19,20-Dehydroedulisone
Synonyms: 19,20-Dehydroedulisone
CAS Registry Number:
InChI: InChI=1S/C37H38N2O10/c1-21(2)18-28(40)38-27-12-9-17-39(27)35(42)30-31(22-10-7-6-8-11-22)37(36(43)46-5,23-13-15-24(44-3)16-14-23)49-25-19-26-33(48-20-47-26)34(45-4)29(25)32(30)41/h6-8,10-11,13-16,18-19,27,30-31H,9,12,17,20H2,1-5H3,(H,38,40)/t27-,30-,31-,37+/m1/s1
InChIKey: InChIKey=LBTBAFBRJMLHSK-RJOONWIBSA-N
Formula: C37H38N2O10
Molecular Weight: 670.706512
Exact Mass: 670.252645
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Kim, S., Chin, Y.W., Su, B.N., Riswan, S., Kardono, L.B., Afriastini, J.J., Chai, H., Farnsworth, N.R., Cordell, G.A., Swanson, S.M., Kinghorn, A.D. J Nat Prod (2006) 69, 1769-75
Species:
Notes: Family : Flavonoids, Type : Flavonoids; 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 (C) | 92.1 |
| 3 (CH) | 51.9 |
| 4 (CH) | 65.3 |
| 5 (C) | 194.6 |
| 6 (C) | 142.4 |
| 7 (C) | 134.6 |
| 8 (C) | 154.4 |
| 9 (CH) | 98.8 |
| 10 (C) | 155.7 |
| 11 (C) | 118.9 |
| 12 (C) | 172 |
| 1' (C) | 128.3 |
| 2' (CH) | 130.7 |
| 3' (CH) | 114.7 |
| 4' (C) | 161.5 |
| 5' (CH) | 114.7 |
| 6' (CH) | 130.7 |
| 1'' (C) | 141 |
| 2'' (CH) | 131.1 |
| 3'' (CH) | 129.2 |
| 4'' (CH) | 128.7 |
| 5'' (CH) | 129.2 |
| 6'' (CH) | 131.1 |
| 4a (C) | 168.9 |
| 4b (CH) | 63.4 |
| 4c (CH2) | 34.7 |
| 4d (CH2) | 22.3 |
| 4e (CH2) | 47 |
| 4f (C) | 167.7 |
| 4g (CH) | 119.1 |
| 4h (C) | 153.5 |
| 4i (CH3) | 20.3 |
| 4ha (CH3) | 27.4 |
| 6a (CH3) | 61 |
| 7a (CH2) | 103.5 |
| 12a (CH3) | 52.6 |
| 4'a (CH3) | 55.7 |
