Spektraris NMR
Pellamurin
Common Name: Pellamurin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H30O11/c1-11(2)3-8-14-16(35-26-23(34)21(32)19(30)17(10-27)36-26)9-15(29)18-20(31)22(33)24(37-25(14)18)12-4-6-13(28)7-5-12/h3-7,9,17,19,21-24,26-30,32-34H,8,10H2,1-2H3/t17-,19-,21+,22+,23-,24-,26-/m1/s1
InChIKey: InChIKey=GRDZTDZJQRPNCN-YIANMRPHSA-N
Formula: C26H30O11
Molecular Weight: 518.51081
Exact Mass: 518.178812
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Ma, J., Jones, S.H., Hecht, S.M. J Nat Prod (2005) 68, 115-7
Species:
Notes: Family : Flavonoids, Type : Flavonoids, Group : Flavononols; 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) | 85.2 |
| 3 (CH) | 73.9 |
| 4 (C) | 199.6 |
| 5 (C) | 159.3 |
| 6 (CH) | 95.3 |
| 7 (C) | 164.9 |
| 8 (C) | 112.1 |
| 9 (C) | 162.4 |
| 10 (C) | 103.2 |
| 1' (C) | 131.9 |
| 2' (CH) | 130.4 |
| 3' (CH) | 116.1 |
| 4' (C) | 161.4 |
| 5' (CH) | 116.1 |
| 6' (CH) | 130.4 |
| 1'' (CH) | 101.4 |
| 2'' (CH) | 74.8 |
| 3'' (CH) | 78 |
| 4'' (CH) | 71.2 |
| 5'' (CH) | 78.3 |
| 6'' (CH2) | 62.4 |
| 1''' (CH2) | 22.1 |
| 2''' (CH) | 123.7 |
| 3''' (C) | 129.2 |
| 4''' (CH3) | 25.9 |
| 5''' (CH3) | 18 |
