Spektraris NMR
Isoedulirin A
Common Name: Isoedulirin A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C36H40N2O10/c1-19(2)16-27(40)37-26-6-5-15-38(26)33(41)30-28(20-7-11-22(39)12-8-20)35(43)29-24(17-25-31(32(29)45-4)47-18-46-25)48-36(30,34(35)42)21-9-13-23(44-3)14-10-21/h7-14,17,19,26,28,30,34,39,42-43H,5-6,15-16,18H2,1-4H3,(H,37,40)/t26?,28-,30+,34?,35+,36-/m1/s1
InChIKey: InChIKey=UZVTWQWRUUHZFV-PIYFPQFDSA-N
Formula: C36H40N2O10
Molecular Weight: 660.711658
Exact Mass: 660.268296
NMR Solvent: CD3OD
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 : Flavaglines; 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) | 87.8 |
| 3 (CH) | 62.3 |
| 4 (CH) | 62.2 |
| 5 (C) | 81.9 |
| 6 (C) | 140.1 |
| 7 (C) | 132.2 |
| 8 (C) | 150 |
| 9 (CH) | 94.2 |
| 10 (C) | 148.8 |
| 11 (C) | 116.8 |
| 12 (CH) | 83.4 |
| 1' (C) | 131.8 |
| 2' (CH) | 129.7 |
| 3' (CH) | 114.2 |
| 4' (C) | 160.8 |
| 5' (CH) | 114.2 |
| 6' (CH) | 129.7 |
| 1'' (C) | 141.8 |
| 2'' (CH) | 131.8 |
| 3'' (CH) | 114.2 |
| 4'' (C) | 160.8 |
| 5'' (CH) | 114.2 |
| 6'' (CH) | 131.8 |
| 3a (C) | 171.6 |
| 3b (CH) | 64.5 |
| 3c (CH2) | 34.9 |
| 3d (CH2) | 21.5 |
| 3e (CH2) | 46.8 |
| 3f (C) | 173.9 |
| 3g (CH2) | 45.9 |
| 3h (CH) | 27.1 |
| 3i (CH3) | 22.9 |
| 3ha (CH3) | 22.2 |
| 6a (CH3) | 61.1 |
| 7a (CH2) | 102.4 |
| 4'a (CH3) | 55.7 |
