Spektraris NMR
Phyllanthuspermin A
Common Name: Phyllanthuspermin A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H16O7/c1-24-16-7-12-11(6-14(16)22)18(10-3-4-15-17(5-10)28-9-27-15)19-13(20(12)25-2)8-26-21(19)23/h3-7,22H,8-9H2,1-2H3
InChIKey: InChIKey=FVHSMRDKHFISMB-UHFFFAOYSA-N
Formula: C21H16O7
Molecular Weight: 380.34834
Exact Mass: 380.089603
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Wu, S.J., Wu, T.S. Chem Pharm Bull (2006) 54, 1223-5
Species:
Notes: Family : Lignans, Type : Lignans, Group : Cyclolignans; 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 |
|---|---|
| 1 (C) | 123.8 |
| 2 (C) | 128.4 |
| 3 (CH) | 108.2 |
| 4 (C) | 146.6 |
| 5 (C) | 147.9 |
| 6 (CH) | 100.2 |
| 7 (C) | 149.3 |
| 8 (C) | 119.4 |
| 9 (CH2) | 66.6 |
| 1' (C) | 131.2 |
| 2' (CH) | 110.8 |
| 3' (C) | 147.4 |
| 4' (C) | 144.9 |
| 5' (CH) | 109.8 |
| 6' (CH) | 123.7 |
| 7' (C) | 134.6 |
| 8' (C) | 125.7 |
| 9' (C) | 169.6 |
| 5a (CH3) | 56.2 |
| 7a (CH3) | 59.6 |
| 3'a (CH2) | 101.1 |
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The Spektraris NMR database is developed and hosted by the Lange laboratory at WSU. CAS Registry Number is a Registered Trademark of the American Chemical Society.