Spektraris NMR
NP-005693
Common Name: NP-005693
Synonyms: NP-005693
CAS Registry Number:
InChI: InChI=1S/C28H32O14/c1-36-14-5-3-13(4-6-14)16-9-38-17-8-19(18(37-2)7-15(17)21(16)30)41-26-24(33)23(32)22(31)20(42-26)10-39-27-25(34)28(35,11-29)12-40-27/h3-9,20,22-27,29,31-35H,10-12H2,1-2H3/t20-,22-,23+,24-,25+,26-,27-,28-/m1/s1
InChIKey: InChIKey=MZJUGRMCXKZMOG-QMVDJANMSA-N
Formula: C28H32O14
Molecular Weight: 592.546378
Exact Mass: 592.179206
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Wang, J., Yang, X., Di, Y., Wang, Y., Shen, Y., Hao, X. J Nat Prod (2006) 69, 778-82
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) | 155.1 |
| 3 (C) | 125.1 |
| 4 (C) | 177.6 |
| 5 (CH) | 106.2 |
| 6 (C) | 149.4 |
| 7 (C) | 153.4 |
| 8 (CH) | 105.5 |
| 9 (C) | 153.4 |
| 10 (C) | 119.8 |
| 1' (C) | 125.6 |
| 2' (CH) | 131.4 |
| 3' (CH) | 114.9 |
| 4' (C) | 161.1 |
| 5' (CH) | 114.9 |
| 6' (CH) | 131.4 |
| 1'' (CH) | 102.1 |
| 2'' (CH) | 75 |
| 3'' (CH) | 77.9 |
| 4'' (CH) | 71.6 |
| 5'' (CH) | 77.2 |
| 6'' (CH2) | 69.1 |
| 1''' (CH) | 111.2 |
| 2''' (CH) | 78.2 |
| 3''' (C) | 80.4 |
| 4''' (CH2) | 75 |
| 5''' (CH2) | 65.7 |
| 6a (CH3) | 56.8 |
| 4'a (CH3) | 55.8 |
