Spektraris NMR
NP-016505
Common Name: NP-016505
Synonyms: NP-016505
CAS Registry Number:
InChI: InChI=1S/C28H32O14/c1-36-14-5-3-13(4-6-14)16-9-38-23-15(19(16)30)7-8-17(24(23)37-2)41-26-22(33)21(32)20(31)18(42-26)10-39-27-25(34)28(35,11-29)12-40-27/h3-9,18,20-22,25-27,29,31-35H,10-12H2,1-2H3/t18-,20-,21+,22-,25+,26-,27-,28-/m1/s1
InChIKey: InChIKey=OLLIISPFUQXHLB-WXLOFIPBSA-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) | 125.3 |
| 4 (C) | 178.1 |
| 5 (CH) | 122.1 |
| 6 (CH) | 115.9 |
| 7 (C) | 155.8 |
| 8 (C) | 138 |
| 9 (C) | 152.3 |
| 10 (C) | 121.3 |
| 1' (C) | 125.8 |
| 2' (CH) | 131.4 |
| 3' (CH) | 114.9 |
| 4' (C) | 161.3 |
| 5' (CH) | 114.9 |
| 6' (CH) | 131.4 |
| 1'' (CH) | 102.3 |
| 2'' (CH) | 75 |
| 3'' (CH) | 78.1 |
| 4'' (CH) | 71.6 |
| 5'' (CH) | 77.4 |
| 6'' (CH2) | 68.8 |
| 1''' (CH) | 111 |
| 2''' (CH) | 78.1 |
| 3''' (C) | 80.5 |
| 4''' (CH2) | 75 |
| 5''' (CH2) | 65.6 |
| 8a (CH3) | 62.4 |
| 4'a (CH3) | 55.8 |
