Spektraris NMR
MEGxp0_001508
Common Name: MEGxp0_001508
Synonyms: MEGxp0_001508
CAS Registry Number:
InChI: InChI=1S/C28H32O15/c1-37-16-7-15-18(21(32)24(16)38-2)19(30)14(8-39-15)12-3-5-13(6-4-12)42-26-23(34)22(33)20(31)17(43-26)9-40-27-25(35)28(36,10-29)11-41-27/h3-8,17,20,22-23,25-27,29,31-36H,9-11H2,1-2H3/t17-,20-,22+,23-,25+,26-,27-,28-/m1/s1
InChIKey: InChIKey=PMQDVDNUZOVYCU-ASMIUSRBSA-N
Formula: C28H32O15
Molecular Weight: 608.545783
Exact Mass: 608.17412
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Mathias, L., Vieira, I.J.C., Braz-Filho, R., Rodrigues-Filho, E. J Nat Prod (1998) 61, 1158-61
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) | 154.91 |
| 3 (C) | 121.93 |
| 4 (C) | 180.57 |
| 5 (C) | 153.11 |
| 6 (C) | 132.05 |
| 7 (C) | 158.96 |
| 8 (CH) | 91.3 |
| 9 (C) | 152.62 |
| 10 (C) | 105.92 |
| 1' (C) | 124.25 |
| 2' (CH) | 130.3 |
| 3' (CH) | 116.22 |
| 4' (C) | 157.44 |
| 5' (CH) | 116.22 |
| 6' (CH) | 130.3 |
| 1'' (CH) | 100.7 |
| 2'' (CH) | 73.34 |
| 3'' (CH) | 76.7 |
| 4'' (CH) | 70.12 |
| 5'' (CH) | 75.77 |
| 6'' (CH2) | 67.9 |
| 1''' (CH) | 109.46 |
| 2''' (CH) | 76.02 |
| 3''' (C) | 78.92 |
| 4''' (CH2) | 73.35 |
| 5''' (CH2) | 63.18 |
| 6a (CH3) | 60.19 |
| 7a (CH3) | 56.61 |
