Spektraris NMR
Pentandrin
Common Name: Pentandrin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C18H16O7/c1-22-10-6-12(19)16-14(7-10)25-8-11(17(16)21)9-4-13(20)18(24-3)15(5-9)23-2/h4-8,19-20H,1-3H3
InChIKey: InChIKey=KIIFCUFZMOWDHR-UHFFFAOYSA-N
Formula: C18H16O7
Molecular Weight: 344.316133
Exact Mass: 344.089603
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Ngounou, F.N., Meli, A.L., Lontsi, D., Sondengam, B.L., Atta Ur, R., Choudhary, M.I., Malik, S., Akhtar, F. Phytochemistry (2000) 54, 107-10
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) | 153.2 |
| 3 (C) | 123.7 |
| 4 (C) | 180.6 |
| 5 (C) | 162.7 |
| 6 (CH) | 98.3 |
| 7 (C) | 165.6 |
| 8 (CH) | 92.5 |
| 9 (C) | 157.8 |
| 10 (C) | 106.2 |
| 1' (C) | 126.6 |
| 2' (CH) | 108.6 |
| 3' (C) | 152.3 |
| 4' (C) | 135.8 |
| 5' (C) | 149.4 |
| 6' (CH) | 105.7 |
| 7a (CH3) | 55.8 |
| 3'a (CH3) | 56.1 |
| 4'a (CH3) | 61 |
